CID 3613666

N-(4-methylthiazol-2-yl)propionamide

Structural Information

Molecular Formula
C7H10N2OS
SMILES
CCC(=O)NC1=NC(=CS1)C
InChI
InChI=1S/C7H10N2OS/c1-3-6(10)9-7-8-5(2)4-11-7/h4H,3H2,1-2H3,(H,8,9,10)
InChIKey
AIOZNYOAFODHNA-UHFFFAOYSA-N
Compound name
N-(4-methyl-1,3-thiazol-2-yl)propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

30
Patents

170.05139 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.05867 135.0
[M+Na]+ 193.04061 143.7
[M-H]- 169.04411 138.0
[M+NH4]+ 188.08521 156.5
[M+K]+ 209.01455 141.8
[M+H-H2O]+ 153.04865 128.9
[M+HCOO]- 215.04959 154.7
[M+CH3COO]- 229.06524 179.0
[M+Na-2H]- 191.02606 136.9
[M]+ 170.05084 137.3
[M]- 170.05194 137.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe