CID 59872531

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

Structural Information

Molecular Formula
C12H14N2
SMILES
CCC(C1=CC2=CC=CC=C2N=C1)N
InChI
InChI=1S/C12H14N2/c1-2-11(13)10-7-9-5-3-4-6-12(9)14-8-10/h3-8,11H,2,13H2,1H3
InChIKey
GRIFFXCNLBSQLF-UHFFFAOYSA-N
Compound name
1-quinolin-3-ylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

186.11569 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.12297 140.8
[M+Na]+ 209.10491 148.3
[M-H]- 185.10841 143.4
[M+NH4]+ 204.14951 159.9
[M+K]+ 225.07885 144.7
[M+H-H2O]+ 169.11295 133.7
[M+HCOO]- 231.11389 162.4
[M+CH3COO]- 245.12954 186.5
[M+Na-2H]- 207.09036 148.2
[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