CID 18003418

203793-16-2

Structural Information

Molecular Formula
C5H7N3OS
SMILES
C1=C(N=C(S1)CN)C(=O)N
InChI
InChI=1S/C5H7N3OS/c6-1-4-8-3(2-10-4)5(7)9/h2H,1,6H2,(H2,7,9)
InChIKey
VXKQIPWHZSQXLJ-UHFFFAOYSA-N
Compound name
2-(aminomethyl)-1,3-thiazole-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

157.03099 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.03827 129.6
[M+Na]+ 180.02021 138.1
[M-H]- 156.02371 131.7
[M+NH4]+ 175.06481 150.5
[M+K]+ 195.99415 135.7
[M+H-H2O]+ 140.02825 123.2
[M+HCOO]- 202.02919 149.6
[M+CH3COO]- 216.04484 177.4
[M+Na-2H]- 178.00566 131.1
[M]+ 157.03044 128.4
[M]- 157.03154 128.4
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

patents stripe