CID 117620

1-aziridinepropanoic acid

Structural Information

Molecular Formula
C5H9NO2
SMILES
C1CN1CCC(=O)O
InChI
InChI=1S/C5H9NO2/c7-5(8)1-2-6-3-4-6/h1-4H2,(H,7,8)
InChIKey
XIVXINZIDLMMRF-UHFFFAOYSA-N
Compound name
3-(aziridin-1-yl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

408
Patents

115.06333 Da
Monoisotopic Mass

-2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.07061 124.1
[M+Na]+ 138.05255 135.5
[M+NH4]+ 133.09715 132.0
[M+K]+ 154.02649 132.6
[M-H]- 114.05605 130.3
[M+Na-2H]- 136.03800 130.8
[M]+ 115.06278 128.3
[M]- 115.06388 128.3
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