CID 15102286

4-methoxycyclohex-1-enecarboxylic acid

Structural Information

Molecular Formula
C8H12O3
SMILES
COC1CCC(=CC1)C(=O)O
InChI
InChI=1S/C8H12O3/c1-11-7-4-2-6(3-5-7)8(9)10/h2,7H,3-5H2,1H3,(H,9,10)
InChIKey
DHLRCYKSOOLDSM-UHFFFAOYSA-N
Compound name
4-methoxycyclohexene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.07864 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.08592 131.3
[M+Na]+ 179.06786 137.5
[M-H]- 155.07136 133.3
[M+NH4]+ 174.11246 151.5
[M+K]+ 195.04180 136.8
[M+H-H2O]+ 139.07590 126.1
[M+HCOO]- 201.07684 151.7
[M+CH3COO]- 215.09249 173.5
[M+Na-2H]- 177.05331 135.7
[M]+ 156.07809 129.5
[M]- 156.07919 129.5
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

No patent data available for this compound.