CID 42281846

827588-55-6

Structural Information

Molecular Formula
C5H7N3OS
SMILES
CNC(=O)C1=CSC(=N1)N
InChI
InChI=1S/C5H7N3OS/c1-7-4(9)3-2-10-5(6)8-3/h2H,1H3,(H2,6,8)(H,7,9)
InChIKey
YPOSKWMFWUTTAJ-UHFFFAOYSA-N
Compound name
2-amino-N-methyl-1,3-thiazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

25
Patents

157.03099 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.03827 129.8
[M+Na]+ 180.02021 138.4
[M-H]- 156.02371 132.4
[M+NH4]+ 175.06481 151.0
[M+K]+ 195.99415 136.4
[M+H-H2O]+ 140.02825 123.4
[M+HCOO]- 202.02919 150.4
[M+CH3COO]- 216.04484 177.3
[M+Na-2H]- 178.00566 132.2
[M]+ 157.03044 129.5
[M]- 157.03154 129.5
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