CID 470914

N-(hydroxymethyl)pyrazine-2-carboxamide

Structural Information

Molecular Formula
C6H7N3O2
SMILES
C1=CN=C(C=N1)C(=O)NCO
InChI
InChI=1S/C6H7N3O2/c10-4-9-6(11)5-3-7-1-2-8-5/h1-3,10H,4H2,(H,9,11)
InChIKey
GNPYEWZHBIMZDX-UHFFFAOYSA-N
Compound name
N-(hydroxymethyl)pyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

153.05383 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.06111 129.2
[M+Na]+ 176.04305 136.7
[M-H]- 152.04655 129.0
[M+NH4]+ 171.08765 146.4
[M+K]+ 192.01699 135.1
[M+H-H2O]+ 136.05109 121.9
[M+HCOO]- 198.05203 151.4
[M+CH3COO]- 212.06768 173.2
[M+Na-2H]- 174.02850 137.8
[M]+ 153.05328 127.9
[M]- 153.05438 127.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe