CID 13030266

2-cyclopropyl-2-hydroxyacetic acid

Structural Information

Molecular Formula
C5H8O3
SMILES
C1CC1C(C(=O)O)O
InChI
InChI=1S/C5H8O3/c6-4(5(7)8)3-1-2-3/h3-4,6H,1-2H2,(H,7,8)
InChIKey
WGYFYSOUPAKFHY-UHFFFAOYSA-N
Compound name
2-cyclopropyl-2-hydroxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

204
Patents

116.04734 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.054616 120.2
[M+Na]+ 139.036558 128.8
[M-H]- 115.040064 122.5
[M+NH4]+ 134.081163 136.4
[M+K]+ 155.010498 127.0
[M+H-H2O]+ 99.044600 115.3
[M+HCOO]- 161.045541 140.7
[M+CH3COO]- 175.061191 168.1
[M+Na-2H]- 137.022006 125.1
[M]+ 116.04679142 121.1
[M]- 116.04788858 121.1
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