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

41
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 155.0
[M+Na]+ 245.15121 164.6
[M+NH4]+ 240.19581 163.5
[M+K]+ 261.12515 157.0
[M-H]- 221.15471 155.5
[M+Na-2H]- 243.13666 159.6
[M]+ 222.16144 156.4
[M]- 222.16254 156.4
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