CID 82594398

2-amino-1-(1,2-thiazol-3-yl)ethan-1-one hydrochloride

Structural Information

Molecular Formula
C5H6N2OS
SMILES
C1=CSN=C1C(=O)CN
InChI
InChI=1S/C5H6N2OS/c6-3-5(8)4-1-2-9-7-4/h1-2H,3,6H2
InChIKey
ZJIOCGOUGQQZPA-UHFFFAOYSA-N
Compound name
2-amino-1-(1,2-thiazol-3-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

142.02008 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.02736 126.4
[M+Na]+ 165.00930 135.0
[M-H]- 141.01280 128.8
[M+NH4]+ 160.05390 148.3
[M+K]+ 180.98324 133.3
[M+H-H2O]+ 125.01734 120.3
[M+HCOO]- 187.01828 146.2
[M+CH3COO]- 201.03393 171.9
[M+Na-2H]- 162.99475 129.0
[M]+ 142.01953 126.7
[M]- 142.02063 126.7
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.