CID 68056649

2742660-55-3

Structural Information

Molecular Formula
C5H7ClN2S
SMILES
CC(C1=CN=C(S1)Cl)N
InChI
InChI=1S/C5H7ClN2S/c1-3(7)4-2-8-5(6)9-4/h2-3H,7H2,1H3
InChIKey
HTYCVTSICUIIBN-UHFFFAOYSA-N
Compound name
1-(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

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.009126 130.1
[M+Na]+ 184.991068 139.9
[M-H]- 160.994574 132.7
[M+NH4]+ 180.035673 152.4
[M+K]+ 200.965008 136.5
[M+H-H2O]+ 144.999110 125.1
[M+HCOO]- 207.000051 144.7
[M+CH3COO]- 221.015701 175.8
[M+Na-2H]- 182.976516 131.4
[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