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]+ 234.07926 151.0
[M+Na]+ 256.06120 160.4
[M-H]- 232.06470 154.0
[M+NH4]+ 251.10580 168.2
[M+K]+ 272.03514 154.6
[M+H-H2O]+ 216.06924 141.7
[M+HCOO]- 278.07018 164.9
[M+CH3COO]- 292.08583 162.7
[M+Na-2H]- 254.04665 155.9
[M]+ 233.07143 150.2
[M]- 233.07253 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.