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]+ 211.053576 143.4
[M+Na]+ 233.035518 153.1
[M-H]- 209.039024 151.4
[M+NH4]+ 228.080123 158.7
[M+K]+ 249.009458 150.4
[M+H-H2O]+ 193.043560 136.4
[M+HCOO]- 255.044501 163.8
[M+CH3COO]- 269.060151 191.1
[M+Na-2H]- 231.020966 144.5
[M]+ 210.04575142 149.4
[M]- 210.04684858 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.