CID 165946611

2703780-41-8

Structural Information

Molecular Formula

C₁₀H₁₄N₄O₃

SMILES

C1CN(CCN1)C2=NC=CN(C2=O)CC(=O)O

InChI

InChI=1S/C10H14N4O3/c15-8(16)7-14-6-3-12-9(10(14)17)13-4-1-11-2-5-13/h3,6,11H,1-2,4-5,7H2,(H,15,16)

InChIKey

BVGUUWULNVBCTD-UHFFFAOYSA-N

Compound name

2-(2-oxo-3-piperazin-1-ylpyrazin-1-yl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 238.1066 Da
Monoisotopic Mass: -3.9
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]+	239.113876	154.2
[M+Na]+	261.095818	160.5
[M-H]-	237.099324	152.4
[M+NH4]+	256.140423	164.4
[M+K]+	277.069758	156.5
[M+H-H2O]+	221.103860	144.6
[M+HCOO]-	283.104801	167.1
[M+CH3COO]-	297.120451	185.3
[M+Na-2H]-	259.081266	157.8
[M]+	238.10605142	148.9
[M]-	238.10714858	148.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.