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]+ 211.06481 149.8
[M+Na]+ 233.04675 159.4
[M-H]- 209.05025 153.4
[M+NH4]+ 228.09135 167.5
[M+K]+ 249.02069 158.3
[M+H-H2O]+ 193.05479 136.0
[M+HCOO]- 255.05573 166.1
[M+CH3COO]- 269.07138 204.0
[M+Na-2H]- 231.03220 149.4
[M]+ 210.05698 146.8
[M]- 210.05808 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.