CID 85968414

68826-24-4

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

168.11504 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.12232 137.2
[M+Na]+ 191.10426 148.3
[M+NH4]+ 186.14886 146.8
[M+K]+ 207.07820 141.2
[M-H]- 167.10776 138.4
[M+Na-2H]- 189.08971 143.1
[M]+ 168.11449 139.1
[M]- 168.11559 139.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe