CID 21197388

2-(cyclopropylamino)acetic acid

Structural Information

Molecular Formula
C5H9NO2
SMILES
C1CC1NCC(=O)O
InChI
InChI=1S/C5H9NO2/c7-5(8)3-6-4-1-2-4/h4,6H,1-3H2,(H,7,8)
InChIKey
DXQCCQKRNWMECV-UHFFFAOYSA-N
Compound name
2-(cyclopropylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

2520
Patents

115.06333 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.07061 122.5
[M+Na]+ 138.05255 132.9
[M+NH4]+ 133.09715 130.7
[M+K]+ 154.02649 130.3
[M-H]- 114.05605 129.7
[M+Na-2H]- 136.03800 129.5
[M]+ 115.06278 126.7
[M]- 115.06388 126.7
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