CID 155604

3-azidopropanoic acid

Structural Information

Molecular Formula

C₃H₅N₃O₂

SMILES

C(CN=[N+]=[N-])C(=O)O

InChI

InChI=1S/C3H5N3O2/c4-6-5-2-1-3(7)8/h1-2H2,(H,7,8)

InChIKey

YIPVUXAMZQBALD-UHFFFAOYSA-N

Compound name

3-azidopropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 377
Patents: 115.03818 Da
Monoisotopic Mass: 0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	116.04546	117.8
[M+Na]+	138.02740	124.7
[M+NH4]+	133.07200	119.8
[M+K]+	154.00134	139.6
[M-H]-	114.03090	120.9
[M+Na-2H]-	136.01285	117.2
[M]+	115.03763	147.6
[M]-	115.03873	168.7

Literature stripe

literature stripe

Patent stripe

patents stripe