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]+ 307.263176 179.3
[M+Na]+ 329.245118 181.9
[M-H]- 305.248624 184.9
[M+NH4]+ 324.289723 197.2
[M+K]+ 345.219058 178.3
[M+H-H2O]+ 289.253160 172.9
[M+HCOO]- 351.254101 191.4
[M+CH3COO]- 365.269751 209.5
[M+Na-2H]- 327.230566 173.0
[M]+ 306.25535142 173.1
[M]- 306.25644858 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.