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]+ 157.085916 133.0
[M+Na]+ 179.067858 137.5
[M-H]- 155.071364 133.2
[M+NH4]+ 174.112463 152.0
[M+K]+ 195.041798 136.4
[M+H-H2O]+ 139.075900 127.9
[M+HCOO]- 201.076841 150.8
[M+CH3COO]- 215.092491 170.7
[M+Na-2H]- 177.053306 136.2
[M]+ 156.07809142 128.2
[M]- 156.07918858 128.2
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