CID 20669195

207505-73-5

Structural Information

Molecular Formula
C17H26O2
SMILES
CC1=CCC(CC1)C(C)(C)OC(=O)C2CCC=CC2
InChI
InChI=1S/C17H26O2/c1-13-9-11-15(12-10-13)17(2,3)19-16(18)14-7-5-4-6-8-14/h4-5,9,14-15H,6-8,10-12H2,1-3H3
InChIKey
BJTYRNANPWPOGC-UHFFFAOYSA-N
Compound name
2-(4-methylcyclohex-3-en-1-yl)propan-2-yl cyclohex-3-ene-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

262.19327 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.20055 164.2
[M+Na]+ 285.18249 166.8
[M-H]- 261.18599 169.3
[M+NH4]+ 280.22709 180.4
[M+K]+ 301.15643 164.5
[M+H-H2O]+ 245.19053 157.2
[M+HCOO]- 307.19147 179.9
[M+CH3COO]- 321.20712 197.4
[M+Na-2H]- 283.16794 165.6
[M]+ 262.19272 160.0
[M]- 262.19382 160.0
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

patents stripe