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]+ 126.06619 122.3
[M+Na]+ 148.04813 131.4
[M-H]- 124.05164 121.9
[M+NH4]+ 143.09274 140.8
[M+K]+ 164.02207 128.7
[M+H-H2O]+ 108.05617 115.6
[M+HCOO]- 170.05712 144.9
[M+CH3COO]- 184.07276 168.5
[M+Na-2H]- 146.03358 130.7
[M]+ 125.05837 119.2
[M]- 125.05946 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.