CID 55301805

2-(1-hydroxycyclopropyl)acetic acid

Structural Information

Molecular Formula
C5H8O3
SMILES
C1CC1(CC(=O)O)O
InChI
InChI=1S/C5H8O3/c6-4(7)3-5(8)1-2-5/h8H,1-3H2,(H,6,7)
InChIKey
KFZBWDNJUMVKMC-UHFFFAOYSA-N
Compound name
2-(1-hydroxycyclopropyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

116.04734 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.054616 121.7
[M+Na]+ 139.036558 131.2
[M-H]- 115.040064 124.3
[M+NH4]+ 134.081163 139.9
[M+K]+ 155.010498 129.9
[M+H-H2O]+ 99.044600 118.1
[M+HCOO]- 161.045541 142.7
[M+CH3COO]- 175.061191 166.8
[M+Na-2H]- 137.022006 128.8
[M]+ 116.04679142 123.7
[M]- 116.04788858 123.7
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