CID 64417026

2-(4,4-dimethylcyclohexylidene)acetic acid

Structural Information

Molecular Formula
C10H16O2
SMILES
CC1(CCC(=CC(=O)O)CC1)C
InChI
InChI=1S/C10H16O2/c1-10(2)5-3-8(4-6-10)7-9(11)12/h7H,3-6H2,1-2H3,(H,11,12)
InChIKey
JFTMZHPNOBLDON-UHFFFAOYSA-N
Compound name
2-(4,4-dimethylcyclohexylidene)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

168.11504 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.122316 137.6
[M+Na]+ 191.104258 143.3
[M-H]- 167.107764 139.4
[M+NH4]+ 186.148863 159.4
[M+K]+ 207.078198 141.5
[M+H-H2O]+ 151.112300 133.5
[M+HCOO]- 213.113241 155.8
[M+CH3COO]- 227.128891 175.9
[M+Na-2H]- 189.089706 141.1
[M]+ 168.11449142 133.1
[M]- 168.11558858 133.1
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

patents stripe