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

230
Patents

116.04734 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.05462 123.5
[M+Na]+ 139.03656 133.8
[M+NH4]+ 134.08116 131.2
[M+K]+ 155.01050 132.2
[M-H]- 115.04006 129.3
[M+Na-2H]- 137.02201 129.3
[M]+ 116.04679 127.3
[M]- 116.04789 127.3
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