CID 12315547

[5-(hydroxymethyl)-5,9,14-trimethyl-2-tetracyclo[11.2.1.01,10.04,9]hexadec-14-enyl] acetate

Structural Information

Molecular Formula
C22H34O3
SMILES
CC1=CC23CC1CCC2C4(CCCC(C4CC3OC(=O)C)(C)CO)C
InChI
InChI=1S/C22H34O3/c1-14-11-22-12-16(14)6-7-17(22)21(4)9-5-8-20(3,13-23)18(21)10-19(22)25-15(2)24/h11,16-19,23H,5-10,12-13H2,1-4H3
InChIKey
OFNWUWHDGCNABD-UHFFFAOYSA-N
Compound name
[5-(hydroxymethyl)-5,9,14-trimethyl-2-tetracyclo[11.2.1.01,10.04,9]hexadec-14-enyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

92
Patents

346.2508 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.25808 186.7
[M+Na]+ 369.24002 194.5
[M+NH4]+ 364.28462 199.7
[M+K]+ 385.21396 184.0
[M-H]- 345.24352 187.9
[M+Na-2H]- 367.22547 188.8
[M]+ 346.25025 188.5
[M]- 346.25135 188.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe