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

3495
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 120.8
[M+Na]+ 138.05255 129.2
[M-H]- 114.05605 124.4
[M+NH4]+ 133.09715 137.5
[M+K]+ 154.02649 127.3
[M+H-H2O]+ 98.060590 115.4
[M+HCOO]- 160.06153 144.5
[M+CH3COO]- 174.07718 172.4
[M+Na-2H]- 136.03800 127.6
[M]+ 115.06278 121.9
[M]- 115.06388 121.9
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