CID 237892

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

Structural Information

Molecular Formula
C12H12ClN3
SMILES
C1CCN(C1)C2=NC3=CC=CC=C3N=C2Cl
InChI
InChI=1S/C12H12ClN3/c13-11-12(16-7-3-4-8-16)15-10-6-2-1-5-9(10)14-11/h1-2,5-6H,3-4,7-8H2
InChIKey
WMISMJBLVOHZDE-UHFFFAOYSA-N
Compound name
2-chloro-3-pyrrolidin-1-ylquinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

233.07198 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.079256 151.0
[M+Na]+ 256.061198 160.4
[M-H]- 232.064704 154.0
[M+NH4]+ 251.105803 168.2
[M+K]+ 272.035138 154.6
[M+H-H2O]+ 216.069240 141.7
[M+HCOO]- 278.070181 164.9
[M+CH3COO]- 292.085831 162.7
[M+Na-2H]- 254.046646 155.9
[M]+ 233.07143142 150.2
[M]- 233.07252858 150.2
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.