CID 50988301

1-[4-(pyridin-3-yl)-1,3-thiazol-2-yl]ethan-1-amine dihydrochloride

Structural Information

Molecular Formula
C10H11N3S
SMILES
CC(C1=NC(=CS1)C2=CN=CC=C2)N
InChI
InChI=1S/C10H11N3S/c1-7(11)10-13-9(6-14-10)8-3-2-4-12-5-8/h2-7H,11H2,1H3
InChIKey
ROJJEBWCRGEGET-UHFFFAOYSA-N
Compound name
1-(4-pyridin-3-yl-1,3-thiazol-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.06737 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.074646 142.6
[M+Na]+ 228.056588 151.6
[M-H]- 204.060094 147.0
[M+NH4]+ 223.101193 160.9
[M+K]+ 244.030528 147.7
[M+H-H2O]+ 188.064630 135.0
[M+HCOO]- 250.065571 161.0
[M+CH3COO]- 264.081221 155.5
[M+Na-2H]- 226.042036 144.7
[M]+ 205.06682142 142.7
[M]- 205.06791858 142.7
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

No patent data available for this compound.