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

20
Patents

157.03099 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.038266 129.6
[M+Na]+ 180.020208 138.1
[M-H]- 156.023714 131.7
[M+NH4]+ 175.064813 150.5
[M+K]+ 195.994148 135.7
[M+H-H2O]+ 140.028250 123.2
[M+HCOO]- 202.029191 149.6
[M+CH3COO]- 216.044841 177.4
[M+Na-2H]- 178.005656 131.1
[M]+ 157.03044142 128.4
[M]- 157.03153858 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