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]+ 163.00913 130.1
[M+Na]+ 184.99107 139.9
[M-H]- 160.99457 132.7
[M+NH4]+ 180.03567 152.4
[M+K]+ 200.96501 136.5
[M+H-H2O]+ 144.99911 125.1
[M+HCOO]- 207.00005 144.7
[M+CH3COO]- 221.01570 175.8
[M+Na-2H]- 182.97652 131.4
[M]+ 162.00130 131.7
[M]- 162.00240 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