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

64
Patents

186.11569 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.12297 140.1
[M+Na]+ 209.10491 147.9
[M-H]- 185.10841 142.7
[M+NH4]+ 204.14951 159.3
[M+K]+ 225.07885 143.8
[M+H-H2O]+ 169.11295 133.0
[M+HCOO]- 231.11389 162.8
[M+CH3COO]- 245.12954 185.7
[M+Na-2H]- 207.09036 148.8
[M]+ 186.11514 139.1
[M]- 186.11624 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