CID 11095026

18088-97-6

Structural Information

Molecular Formula
C10H16O2
SMILES
CC1=C(CCC(C1)(C)C)C(=O)O
InChI
InChI=1S/C10H16O2/c1-7-6-10(2,3)5-4-8(7)9(11)12/h4-6H2,1-3H3,(H,11,12)
InChIKey
YTWWEINCKYNWLW-UHFFFAOYSA-N
Compound name
2,4,4-trimethylcyclohexene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

168.11504 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.122316 135.5
[M+Na]+ 191.104258 142.8
[M-H]- 167.107764 138.0
[M+NH4]+ 186.148863 157.7
[M+K]+ 207.078198 141.5
[M+H-H2O]+ 151.112300 131.6
[M+HCOO]- 213.113241 155.0
[M+CH3COO]- 227.128891 178.3
[M+Na-2H]- 189.089706 139.5
[M]+ 168.11449142 133.7
[M]- 168.11558858 133.7
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