CID 131025

109732-62-9

Structural Information

Molecular Formula
C15H20N3
SMILES
C[N+]1(CCN(CC1)C2=NC3=CC=CC=C3C=C2)C
InChI
InChI=1S/C15H20N3/c1-18(2)11-9-17(10-12-18)15-8-7-13-5-3-4-6-14(13)16-15/h3-8H,9-12H2,1-2H3/q+1
InChIKey
LTSPKXGQPWRNQX-UHFFFAOYSA-N
Compound name
2-(4,4-dimethylpiperazin-4-ium-1-yl)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

242.16573 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.17301 157.8
[M+Na]+ 265.15495 164.9
[M-H]- 241.15845 160.9
[M+NH4]+ 260.19955 173.8
[M+K]+ 281.12889 154.6
[M+H-H2O]+ 225.16299 150.2
[M+HCOO]- 287.16393 172.8
[M+CH3COO]- 301.17958 187.2
[M+Na-2H]- 263.14040 167.0
[M]+ 242.16518 152.4
[M]- 242.16628 152.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.