CID 25076577

94070-94-7

Structural Information

Molecular Formula
C20H34O2
SMILES
CC1CC(CCC1OC(=O)C)C2CC(C3CCCC3C2C)C
InChI
InChI=1S/C20H34O2/c1-12-11-19(14(3)18-7-5-6-17(12)18)16-8-9-20(13(2)10-16)22-15(4)21/h12-14,16-20H,5-11H2,1-4H3
InChIKey
RKDRNMSALFFMRS-UHFFFAOYSA-N
Compound name
[4-(4,7-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-2-methylcyclohexyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.2559 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.26318 179.3
[M+Na]+ 329.24512 181.9
[M-H]- 305.24862 184.9
[M+NH4]+ 324.28972 197.2
[M+K]+ 345.21906 178.3
[M+H-H2O]+ 289.25316 172.9
[M+HCOO]- 351.25410 191.4
[M+CH3COO]- 365.26975 209.5
[M+Na-2H]- 327.23057 173.0
[M]+ 306.25535 173.1
[M]- 306.25645 173.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.