CID 45121815

374671-66-6

Structural Information

Molecular Formula
C5H6N2OS
SMILES
C1=CSC(=N1)C(=O)CN
InChI
InChI=1S/C5H6N2OS/c6-3-4(8)5-7-1-2-9-5/h1-2H,3,6H2
InChIKey
UTRBRLNTLFCYCH-UHFFFAOYSA-N
Compound name
2-amino-1-(1,3-thiazol-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
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

literature stripe

Patent stripe

patents stripe