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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.11388 154.2
[M+Na]+ 261.09582 160.5
[M-H]- 237.09932 152.4
[M+NH4]+ 256.14042 164.4
[M+K]+ 277.06976 156.5
[M+H-H2O]+ 221.10386 144.6
[M+HCOO]- 283.10480 167.1
[M+CH3COO]- 297.12045 185.3
[M+Na-2H]- 259.08127 157.8
[M]+ 238.10605 148.9
[M]- 238.10715 148.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.