CID 50988425

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

Structural Information

Molecular Formula
C12H15N3S
SMILES
C1=CC(=CN=C1)C2=CSC(=N2)CCCCN
InChI
InChI=1S/C12H15N3S/c13-6-2-1-5-12-15-11(9-16-12)10-4-3-7-14-8-10/h3-4,7-9H,1-2,5-6,13H2
InChIKey
NLPPBWZRNFAVLK-UHFFFAOYSA-N
Compound name
4-(4-pyridin-3-yl-1,3-thiazol-2-yl)butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

233.09866 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.105936 150.5
[M+Na]+ 256.087878 158.9
[M-H]- 232.091384 154.4
[M+NH4]+ 251.132483 167.8
[M+K]+ 272.061818 154.1
[M+H-H2O]+ 216.095920 142.4
[M+HCOO]- 278.096861 169.2
[M+CH3COO]- 292.112511 162.6
[M+Na-2H]- 254.073326 152.7
[M]+ 233.09811142 151.8
[M]- 233.09920858 151.8
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.