CID 3427459

1-methylcyclohex-2-ene-1-carboxylic acid

Structural Information

Molecular Formula
C8H12O2
SMILES
CC1(CCCC=C1)C(=O)O
InChI
InChI=1S/C8H12O2/c1-8(7(9)10)5-3-2-4-6-8/h3,5H,2,4,6H2,1H3,(H,9,10)
InChIKey
WMAUMTLIDVHITM-UHFFFAOYSA-N
Compound name
1-methylcyclohex-2-ene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

53
Patents

140.08372 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.090996 129.0
[M+Na]+ 163.072938 135.3
[M-H]- 139.076444 131.1
[M+NH4]+ 158.117543 151.7
[M+K]+ 179.046878 134.3
[M+H-H2O]+ 123.080980 124.8
[M+HCOO]- 185.081921 149.2
[M+CH3COO]- 199.097571 169.9
[M+Na-2H]- 161.058386 135.2
[M]+ 140.08317142 125.6
[M]- 140.08426858 125.6
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