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]+ 185.03793 137.4
[M+Na]+ 207.01987 146.4
[M-H]- 183.02337 142.0
[M+NH4]+ 202.06447 158.8
[M+K]+ 222.99381 145.8
[M+H-H2O]+ 167.02791 131.1
[M+HCOO]- 229.02885 158.0
[M+CH3COO]- 243.04450 183.7
[M+Na-2H]- 205.00532 138.8
[M]+ 184.03010 141.7
[M]- 184.03120 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.