CID 103425

65652-27-9

Structural Information

Molecular Formula
C14H22O2
SMILES
CC(=CCCC1=CCCC(C1)(C)C(=O)O)C
InChI
InChI=1S/C14H22O2/c1-11(2)6-4-7-12-8-5-9-14(3,10-12)13(15)16/h6,8H,4-5,7,9-10H2,1-3H3,(H,15,16)
InChIKey
YFCNEIWVIJVLHW-UHFFFAOYSA-N
Compound name
1-methyl-3-(4-methylpent-3-enyl)cyclohex-3-ene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

222.16199 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.16927 153.8
[M+Na]+ 245.15121 158.6
[M-H]- 221.15471 155.3
[M+NH4]+ 240.19581 173.4
[M+K]+ 261.12515 156.1
[M+H-H2O]+ 205.15925 149.0
[M+HCOO]- 267.16019 171.1
[M+CH3COO]- 281.17584 188.5
[M+Na-2H]- 243.13666 154.9
[M]+ 222.16144 151.6
[M]- 222.16254 151.6
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