CID 82416989

2770359-48-1

Structural Information

Molecular Formula

C₆H₇N₃O₂

SMILES

C1=C(N=CC(=N1)C(=O)O)CN

InChI

InChI=1S/C6H7N3O2/c7-1-4-2-9-5(3-8-4)6(10)11/h2-3H,1,7H2,(H,10,11)

InChIKey

UEWOITPAOJTEDP-UHFFFAOYSA-N

Compound name

5-(aminomethyl)pyrazine-2-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 153.05383 Da
Monoisotopic Mass: -3.7
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	129.6
[M+Na]+	176.04305	137.9
[M-H]-	152.04655	129.2
[M+NH4]+	171.08765	146.8
[M+K]+	192.01699	136.0
[M+H-H2O]+	136.05109	122.6
[M+HCOO]-	198.05203	151.1
[M+CH3COO]-	212.06768	174.5
[M+Na-2H]-	174.02850	136.3
[M]+	153.05328	127.7
[M]-	153.05438	127.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe