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]+ 177.02478 134.6
[M+Na]+ 199.00672 144.0
[M-H]- 175.01022 137.0
[M+NH4]+ 194.05132 156.4
[M+K]+ 214.98066 140.3
[M+H-H2O]+ 159.01476 129.4
[M+HCOO]- 221.01570 148.9
[M+CH3COO]- 235.03135 178.8
[M+Na-2H]- 196.99217 135.4
[M]+ 176.01695 136.5
[M]- 176.01805 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.