CID 237893

2-chloro-3-(piperidin-1-yl)quinoxaline

Structural Information

Molecular Formula
C13H14ClN3
SMILES
C1CCN(CC1)C2=NC3=CC=CC=C3N=C2Cl
InChI
InChI=1S/C13H14ClN3/c14-12-13(17-8-4-1-5-9-17)16-11-7-3-2-6-10(11)15-12/h2-3,6-7H,1,4-5,8-9H2
InChIKey
HDZLRVKTLOUROS-UHFFFAOYSA-N
Compound name
2-chloro-3-piperidin-1-ylquinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.08763 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.09491 155.0
[M+Na]+ 270.07685 162.9
[M-H]- 246.08035 157.3
[M+NH4]+ 265.12145 169.6
[M+K]+ 286.05079 156.8
[M+H-H2O]+ 230.08489 145.0
[M+HCOO]- 292.08583 166.3
[M+CH3COO]- 306.10148 165.5
[M+Na-2H]- 268.06230 161.6
[M]+ 247.08708 152.3
[M]- 247.08818 152.3
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.