CID 24689556

2-[(pyrazin-2-yl)amino]acetic acid

Structural Information

Molecular Formula

C₆H₇N₃O₂

SMILES

C1=CN=C(C=N1)NCC(=O)O

InChI

InChI=1S/C6H7N3O2/c10-6(11)4-9-5-3-7-1-2-8-5/h1-3H,4H2,(H,8,9)(H,10,11)

InChIKey

BQKRYNNHWQSTJR-UHFFFAOYSA-N

Compound name

2-(pyrazin-2-ylamino)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 153.05383 Da
Monoisotopic Mass: 0.2
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]+	154.06111	128.9
[M+Na]+	176.04305	136.3
[M-H]-	152.04655	128.6
[M+NH4]+	171.08765	146.0
[M+K]+	192.01699	134.7
[M+H-H2O]+	136.05109	121.6
[M+HCOO]-	198.05203	151.1
[M+CH3COO]-	212.06768	173.9
[M+Na-2H]-	174.02850	137.5
[M]+	153.05328	127.7
[M]-	153.05438	127.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe