CID 221278

6-methylcyclohex-3-ene-1-carboxylic acid

Structural Information

Molecular Formula
C8H12O2
SMILES
CC1CC=CCC1C(=O)O
InChI
InChI=1S/C8H12O2/c1-6-4-2-3-5-7(6)8(9)10/h2-3,6-7H,4-5H2,1H3,(H,9,10)
InChIKey
UTEIUSUWIZICDO-UHFFFAOYSA-N
Compound name
6-methylcyclohex-3-ene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

133
Patents

140.08372 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.090996 128.3
[M+Na]+ 163.072938 134.6
[M-H]- 139.076444 130.4
[M+NH4]+ 158.117543 149.2
[M+K]+ 179.046878 133.4
[M+H-H2O]+ 123.080980 123.4
[M+HCOO]- 185.081921 148.4
[M+CH3COO]- 199.097571 171.5
[M+Na-2H]- 161.058386 132.7
[M]+ 140.08317142 125.0
[M]- 140.08426858 125.0
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