CID 66220871

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

Structural Information

Molecular Formula
C6H9ClN2S
SMILES
CCC(C1=NC=C(S1)Cl)N
InChI
InChI=1S/C6H9ClN2S/c1-2-4(8)6-9-3-5(7)10-6/h3-4H,2,8H2,1H3
InChIKey
XGAZGZPJCPYLEO-UHFFFAOYSA-N
Compound name
1-(5-chloro-1,3-thiazol-2-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

176.0175 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 177.024776 134.6
[M+Na]+ 199.006718 144.0
[M-H]- 175.010224 137.0
[M+NH4]+ 194.051323 156.4
[M+K]+ 214.980658 140.3
[M+H-H2O]+ 159.014760 129.4
[M+HCOO]- 221.015701 148.9
[M+CH3COO]- 235.031351 178.8
[M+Na-2H]- 196.992166 135.4
[M]+ 176.01695142 136.5
[M]- 176.01804858 136.5
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.