CID 64288268

2126161-21-3

Structural Information

Molecular Formula
C5H7N3O
SMILES
C1=C(N=CC(=O)N1)CN
InChI
InChI=1S/C5H7N3O/c6-1-4-2-8-5(9)3-7-4/h2-3H,1,6H2,(H,8,9)
InChIKey
LAPYFVLFCBRREF-UHFFFAOYSA-N
Compound name
5-(aminomethyl)-1H-pyrazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

125.058914 Da
Monoisotopic Mass

-1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 126.066190 122.3
[M+Na]+ 148.048132 131.4
[M-H]- 124.051638 121.9
[M+NH4]+ 143.092737 140.8
[M+K]+ 164.022072 128.7
[M+H-H2O]+ 108.056174 115.6
[M+HCOO]- 170.057115 144.9
[M+CH3COO]- 184.072765 168.5
[M+Na-2H]- 146.033580 130.7
[M]+ 125.05836542 119.2
[M]- 125.05946258 119.2
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.