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]+ 234.10594 150.5
[M+Na]+ 256.08788 158.9
[M-H]- 232.09138 154.4
[M+NH4]+ 251.13248 167.8
[M+K]+ 272.06182 154.1
[M+H-H2O]+ 216.09592 142.4
[M+HCOO]- 278.09686 169.2
[M+CH3COO]- 292.11251 162.6
[M+Na-2H]- 254.07333 152.7
[M]+ 233.09811 151.8
[M]- 233.09921 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.