CID 79498670

2172480-54-3

Structural Information

Molecular Formula

C₄H₈N₄O₂

SMILES

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

InChI

InChI=1S/C4H8N4O2/c5-8-7-2-1-6-3-4(9)10/h6H,1-3H2,(H,9,10)

InChIKey

VUSMLWZLQRININ-UHFFFAOYSA-N

Compound name

2-(2-azidoethylamino)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
Patents: 144.06473 Da
Monoisotopic Mass: -2.0
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]+	145.072006	124.6
[M+Na]+	167.053948	130.1
[M-H]-	143.057454	126.3
[M+NH4]+	162.098553	144.8
[M+K]+	183.027888	126.0
[M+H-H2O]+	127.061990	123.1
[M+HCOO]-	189.062931	155.0
[M+CH3COO]-	203.078581	176.7
[M+Na-2H]-	165.039396	134.7
[M]+	144.06418142	121.7
[M]-	144.06527858	121.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe