CID 78385431

35945-70-1

Structural Information

Molecular Formula
C17H24O4
SMILES
CC1CCCC2C1(CC3(C2OC(=O)C)C(=C)COC3=O)C
InChI
InChI=1S/C17H24O4/c1-10-6-5-7-13-14(21-12(3)18)17(9-16(10,13)4)11(2)8-20-15(17)19/h10,13-14H,2,5-9H2,1,3-4H3
InChIKey
ZZZDGYZKGIPSPD-UHFFFAOYSA-N
Compound name
(3a,4-dimethyl-4'-methylidene-2'-oxospiro[3,4,5,6,7,7a-hexahydro-1H-indene-2,3'-oxolane]-1-yl) acetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

292.16745 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.17473 167.4
[M+Na]+ 315.15667 174.7
[M-H]- 291.16017 174.2
[M+NH4]+ 310.20127 190.8
[M+K]+ 331.13061 172.3
[M+H-H2O]+ 275.16471 164.4
[M+HCOO]- 337.16565 182.6
[M+CH3COO]- 351.18130 201.4
[M+Na-2H]- 313.14212 166.7
[M]+ 292.16690 165.9
[M]- 292.16800 165.9
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

No patent data available for this compound.