PubChemLite - 4,15-diacetylverrucarol (C19H26O6)

Structural Information

Molecular Formula

SMILES

CC1=C[C@@H]2[C@](CC1)([C@]3(C(CC(C34CO4)O2)OC(=O)C)C)COC(=O)C

InChI

InChI=1S/C19H26O6/c1-11-5-6-18(9-22-12(2)20)15(7-11)25-16-8-14(24-13(3)21)17(18,4)19(16)10-23-19/h7,14-16H,5-6,8-10H2,1-4H3/t14?,15-,16?,17-,18-,19?/m1/s1

InChIKey

CVJVDRZXGYXIET-YNFWZOLVSA-N

Compound name

[(1S,2R,7R)-11-acetyloxy-1,5-dimethylspiro[8-oxatricyclo[7.2.1.02,7]dodec-5-ene-12,2'-oxirane]-2-yl]methyl acetate

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	351.18022	182.2
[M+Na]+	373.16216	192.5
[M+NH4]+	368.20676	193.9
[M+K]+	389.13610	186.3
[M-H]-	349.16566	192.6
[M+Na-2H]-	371.14761	187.4
[M]+	350.17239	188.2
[M]-	350.17349	188.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

351.18022

182.2

[M+Na]+

373.16216

192.5

[M+NH4]+

368.20676

193.9

[M+K]+

389.13610

186.3

[M-H]-

349.16566

192.6

[M+Na-2H]-

371.14761

187.4

[M]+

350.17239

188.2

[M]-

350.17349

188.2

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

4,15-diacetylverrucarol

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe