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]+ 220.09030 146.2
[M+Na]+ 242.07224 155.0
[M-H]- 218.07574 150.3
[M+NH4]+ 237.11684 164.0
[M+K]+ 258.04618 150.4
[M+H-H2O]+ 202.08028 138.3
[M+HCOO]- 264.08122 165.3
[M+CH3COO]- 278.09687 158.7
[M+Na-2H]- 240.05769 148.8
[M]+ 219.08247 147.1
[M]- 219.08357 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.