CID 55254854

2-(2-chloro-1,3-thiazol-5-yl)ethan-1-amine hydrochloride

Structural Information

Molecular Formula
C5H7ClN2S
SMILES
C1=C(SC(=N1)Cl)CCN
InChI
InChI=1S/C5H7ClN2S/c6-5-8-3-4(9-5)1-2-7/h3H,1-2,7H2
InChIKey
CJILRQDPFGETKS-UHFFFAOYSA-N
Compound name
2-(2-chloro-1,3-thiazol-5-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

162.00185 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.00913 130.0
[M+Na]+ 184.99107 141.4
[M+NH4]+ 180.03567 139.5
[M+K]+ 200.96501 134.7
[M-H]- 160.99457 132.0
[M+Na-2H]- 182.97652 135.4
[M]+ 162.00130 132.8
[M]- 162.00240 132.8
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

No patent data available for this compound.