CID 12434582

2-(cyclohex-1-en-1-yl)-2-hydroxyacetic acid

Structural Information

Molecular Formula
C8H12O3
SMILES
C1CCC(=CC1)C(C(=O)O)O
InChI
InChI=1S/C8H12O3/c9-7(8(10)11)6-4-2-1-3-5-6/h4,7,9H,1-3,5H2,(H,10,11)
InChIKey
DMJDGSYFXJOVEB-UHFFFAOYSA-N
Compound name
2-(cyclohexen-1-yl)-2-hydroxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
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 133.0
[M+Na]+ 179.06786 142.1
[M+NH4]+ 174.11246 140.3
[M+K]+ 195.04180 138.4
[M-H]- 155.07136 132.8
[M+Na-2H]- 177.05331 136.7
[M]+ 156.07809 133.8
[M]- 156.07919 133.8
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