CID 55785

2305253-46-5

Structural Information

Molecular Formula

C₃H₆N₄O₂

SMILES

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

InChI

InChI=1S/C3H6N4O2/c4-2(3(8)9)1-6-7-5/h2H,1,4H2,(H,8,9)

InChIKey

CIFCKCQAKQRJFC-UHFFFAOYSA-N

Compound name

2-amino-3-azidopropanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 18
References: 103
Patents: 130.04907 Da
Monoisotopic Mass: -2.5
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]+	131.05635	120.6
[M+Na]+	153.03829	126.4
[M-H]-	129.04179	122.1
[M+NH4]+	148.08289	141.1
[M+K]+	169.01223	122.6
[M+H-H2O]+	113.04633	119.5
[M+HCOO]-	175.04727	149.8
[M+CH3COO]-	189.06292	173.5
[M+Na-2H]-	151.02374	128.9
[M]+	130.04852	115.7
[M]-	130.04962	115.7

Literature stripe

literature stripe

Patent stripe

patents stripe