CID 45792129

N-(4-formyl-1,3-thiazol-2-yl)-n-methylacetamide

Structural Information

Molecular Formula
C7H8N2O2S
SMILES
CC(=O)N(C)C1=NC(=CS1)C=O
InChI
InChI=1S/C7H8N2O2S/c1-5(11)9(2)7-8-6(3-10)4-12-7/h3-4H,1-2H3
InChIKey
YIVBMSNATMNISG-UHFFFAOYSA-N
Compound name
N-(4-formyl-1,3-thiazol-2-yl)-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.03065 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.037926 137.4
[M+Na]+ 207.019868 146.4
[M-H]- 183.023374 142.0
[M+NH4]+ 202.064473 158.8
[M+K]+ 222.993808 145.8
[M+H-H2O]+ 167.027910 131.1
[M+HCOO]- 229.028851 158.0
[M+CH3COO]- 243.044501 183.7
[M+Na-2H]- 205.005316 138.8
[M]+ 184.03010142 141.7
[M]- 184.03119858 141.7
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

No patent data available for this compound.