CID 50988423

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

Structural Information

Molecular Formula
C11H13N3S
SMILES
C1=CN=CC=C1C2=CSC(=N2)CCCN
InChI
InChI=1S/C11H13N3S/c12-5-1-2-11-14-10(8-15-11)9-3-6-13-7-4-9/h3-4,6-8H,1-2,5,12H2
InChIKey
PMPNYTSNRRCRAM-UHFFFAOYSA-N
Compound name
3-(4-pyridin-4-yl-1,3-thiazol-2-yl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.08302 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.090296 146.2
[M+Na]+ 242.072238 155.0
[M-H]- 218.075744 150.3
[M+NH4]+ 237.116843 164.0
[M+K]+ 258.046178 150.4
[M+H-H2O]+ 202.080280 138.3
[M+HCOO]- 264.081221 165.3
[M+CH3COO]- 278.096871 158.7
[M+Na-2H]- 240.057686 148.8
[M]+ 219.08247142 147.1
[M]- 219.08356858 147.1
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.