CID 10975489

Cyclohex-2-ene-1-carboxylic acid

Structural Information

Molecular Formula
C7H10O2
SMILES
C1CC=CC(C1)C(=O)O
InChI
InChI=1S/C7H10O2/c8-7(9)6-4-2-1-3-5-6/h2,4,6H,1,3,5H2,(H,8,9)
InChIKey
YVWBQGFBSVLPIK-UHFFFAOYSA-N
Compound name
cyclohex-2-ene-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1651
Patents

126.06808 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.075356 124.4
[M+Na]+ 149.057298 130.2
[M-H]- 125.060804 126.3
[M+NH4]+ 144.101903 145.6
[M+K]+ 165.031238 129.3
[M+H-H2O]+ 109.065340 119.5
[M+HCOO]- 171.066281 144.9
[M+CH3COO]- 185.081931 167.3
[M+Na-2H]- 147.042746 130.0
[M]+ 126.06753142 120.4
[M]- 126.06862858 120.4
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