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]+ 169.12232 135.5
[M+Na]+ 191.10426 142.8
[M-H]- 167.10776 138.0
[M+NH4]+ 186.14886 157.7
[M+K]+ 207.07820 141.5
[M+H-H2O]+ 151.11230 131.6
[M+HCOO]- 213.11324 155.0
[M+CH3COO]- 227.12889 178.3
[M+Na-2H]- 189.08971 139.5
[M]+ 168.11449 133.7
[M]- 168.11559 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