CID 50988142

2-(aminomethyl)-4-methyl-1,3-thiazole-5-carboxamide dihydrochloride

Structural Information

Molecular Formula
C6H9N3OS
SMILES
CC1=C(SC(=N1)CN)C(=O)N
InChI
InChI=1S/C6H9N3OS/c1-3-5(6(8)10)11-4(2-7)9-3/h2,7H2,1H3,(H2,8,10)
InChIKey
HYLHOIPOEGNMID-UHFFFAOYSA-N
Compound name
2-(aminomethyl)-4-methyl-1,3-thiazole-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

171.04663 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.053906 134.1
[M+Na]+ 194.035848 143.0
[M-H]- 170.039354 136.4
[M+NH4]+ 189.080453 154.7
[M+K]+ 210.009788 140.4
[M+H-H2O]+ 154.043890 127.9
[M+HCOO]- 216.044831 153.7
[M+CH3COO]- 230.060481 181.6
[M+Na-2H]- 192.021296 134.4
[M]+ 171.04608142 133.7
[M]- 171.04717858 133.7
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