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

2
Patents

162.00185 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.009126 129.6
[M+Na]+ 184.991068 139.8
[M-H]- 160.994574 132.1
[M+NH4]+ 180.035673 152.0
[M+K]+ 200.965008 135.8
[M+H-H2O]+ 144.999110 124.5
[M+HCOO]- 207.000051 145.2
[M+CH3COO]- 221.015701 175.0
[M+Na-2H]- 182.976516 132.0
[M]+ 162.00130142 131.7
[M]- 162.00239858 131.7
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

patents stripe