CID 13130946

53159-71-0

Structural Information

Molecular Formula
C5H6N2OS
SMILES
CC(=O)C1=CN=C(S1)N
InChI
InChI=1S/C5H6N2OS/c1-3(8)4-2-7-5(6)9-4/h2H,1H3,(H2,6,7)
InChIKey
XJKIEXPVXXFORX-UHFFFAOYSA-N
Compound name
1-(2-amino-1,3-thiazol-5-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

103
Patents

142.02008 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.027356 126.1
[M+Na]+ 165.009298 135.6
[M-H]- 141.012804 128.9
[M+NH4]+ 160.053903 148.3
[M+K]+ 180.983238 133.8
[M+H-H2O]+ 125.017340 120.4
[M+HCOO]- 187.018281 145.8
[M+CH3COO]- 201.033931 173.0
[M+Na-2H]- 162.994746 128.0
[M]+ 142.01953142 126.8
[M]- 142.02062858 126.8
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

patents stripe