CID 12136639

3-(quinolin-4-yl)propan-1-amine

Structural Information

Molecular Formula
C12H14N2
SMILES
C1=CC=C2C(=C1)C(=CC=N2)CCCN
InChI
InChI=1S/C12H14N2/c13-8-3-4-10-7-9-14-12-6-2-1-5-11(10)12/h1-2,5-7,9H,3-4,8,13H2
InChIKey
VEONADHCZDIKEW-UHFFFAOYSA-N
Compound name
3-quinolin-4-ylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

186.11569 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.122966 140.1
[M+Na]+ 209.104908 147.9
[M-H]- 185.108414 142.7
[M+NH4]+ 204.149513 159.3
[M+K]+ 225.078848 143.8
[M+H-H2O]+ 169.112950 133.0
[M+HCOO]- 231.113891 162.8
[M+CH3COO]- 245.129541 185.7
[M+Na-2H]- 207.090356 148.8
[M]+ 186.11514142 139.1
[M]- 186.11623858 139.1
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

patents stripe