CID 121557884

2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)(methyl)amino]acetamide

Structural Information

Molecular Formula
C8H10N4OS
SMILES
CC1=NSC(=C1C#N)N(C)CC(=O)N
InChI
InChI=1S/C8H10N4OS/c1-5-6(3-9)8(14-11-5)12(2)4-7(10)13/h4H2,1-2H3,(H2,10,13)
InChIKey
BCFQGXBWVPWHCV-UHFFFAOYSA-N
Compound name
2-[(4-cyano-3-methyl-1,2-thiazol-5-yl)-methylamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.05753 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.064806 149.8
[M+Na]+ 233.046748 159.4
[M-H]- 209.050254 153.4
[M+NH4]+ 228.091353 167.5
[M+K]+ 249.020688 158.3
[M+H-H2O]+ 193.054790 136.0
[M+HCOO]- 255.055731 166.1
[M+CH3COO]- 269.071381 204.0
[M+Na-2H]- 231.032196 149.4
[M]+ 210.05698142 146.8
[M]- 210.05807858 146.8
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

No patent data available for this compound.