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

37
Patents

116.04734 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.05462 121.7
[M+Na]+ 139.03656 131.2
[M-H]- 115.04006 124.3
[M+NH4]+ 134.08116 139.9
[M+K]+ 155.01050 129.9
[M+H-H2O]+ 99.044600 118.1
[M+HCOO]- 161.04554 142.7
[M+CH3COO]- 175.06119 166.8
[M+Na-2H]- 137.02201 128.8
[M]+ 116.04679 123.7
[M]- 116.04789 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