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

1376
Patents

126.06808 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.07536 125.1
[M+Na]+ 149.05730 135.9
[M+NH4]+ 144.10190 133.7
[M+K]+ 165.03124 130.6
[M-H]- 125.06080 126.2
[M+Na-2H]- 147.04275 130.6
[M]+ 126.06753 126.7
[M]- 126.06863 126.7
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

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