CID 54593583

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

Structural Information

Molecular Formula
C9H10N2O2S
SMILES
CC(=O)N(C1CC1)C2=NC(=CS2)C=O
InChI
InChI=1S/C9H10N2O2S/c1-6(13)11(8-2-3-8)9-10-7(4-12)5-14-9/h4-5,8H,2-3H2,1H3
InChIKey
JKWPJSMCAWSTDD-UHFFFAOYSA-N
Compound name
N-cyclopropyl-N-(4-formyl-1,3-thiazol-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.0463 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.05358 143.4
[M+Na]+ 233.03552 153.1
[M-H]- 209.03902 151.4
[M+NH4]+ 228.08012 158.7
[M+K]+ 249.00946 150.4
[M+H-H2O]+ 193.04356 136.4
[M+HCOO]- 255.04450 163.8
[M+CH3COO]- 269.06015 191.1
[M+Na-2H]- 231.02097 144.5
[M]+ 210.04575 149.4
[M]- 210.04685 149.4
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.