CID 17625

2-acetamidothiazole

Structural Information

Molecular Formula
C5H6N2OS
SMILES
CC(=O)NC1=NC=CS1
InChI
InChI=1S/C5H6N2OS/c1-4(8)7-5-6-2-3-9-5/h2-3H,1H3,(H,6,7,8)
InChIKey
WXPLRSVMGRAIGW-UHFFFAOYSA-N
Compound name
N-(1,3-thiazol-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

801
Patents

142.02008 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.027356 126.4
[M+Na]+ 165.009298 135.1
[M-H]- 141.012804 129.4
[M+NH4]+ 160.053903 148.7
[M+K]+ 180.983238 133.7
[M+H-H2O]+ 125.017340 120.4
[M+HCOO]- 187.018281 146.8
[M+CH3COO]- 201.033931 171.9
[M+Na-2H]- 162.994746 130.0
[M]+ 142.01953142 127.6
[M]- 142.02062858 127.6
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