CID 3001381

N-(hydroxymethyl)pyrazine-2-carbothioamide

Structural Information

Molecular Formula
C6H7N3OS
SMILES
C1=CN=C(C=N1)C(=S)NCO
InChI
InChI=1S/C6H7N3OS/c10-4-9-6(11)5-3-7-1-2-8-5/h1-3,10H,4H2,(H,9,11)
InChIKey
CNHPSXZKTMEELJ-UHFFFAOYSA-N
Compound name
N-(hydroxymethyl)pyrazine-2-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

169.03099 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 170.03827 132.2
[M+Na]+ 192.02021 140.1
[M-H]- 168.02371 132.1
[M+NH4]+ 187.06481 149.5
[M+K]+ 207.99415 136.8
[M+H-H2O]+ 152.02825 125.3
[M+HCOO]- 214.02919 148.9
[M+CH3COO]- 228.04484 175.0
[M+Na-2H]- 190.00566 137.5
[M]+ 169.03044 131.6
[M]- 169.03154 131.6
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