CID 67476

Pyrrolo[1,2-a]quinoxaline

Structural Information

Molecular Formula
C11H8N2
SMILES
C1=CC=C2C(=C1)N=CC3=CC=CN32
InChI
InChI=1S/C11H8N2/c1-2-6-11-10(5-1)12-8-9-4-3-7-13(9)11/h1-8H
InChIKey
IEOUSWADWJLLCH-UHFFFAOYSA-N
Compound name
pyrrolo[1,2-a]quinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

33
References

199
Patents

168.06874 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.076016 131.5
[M+Na]+ 191.057958 143.0
[M-H]- 167.061464 135.0
[M+NH4]+ 186.102563 153.5
[M+K]+ 207.031898 138.6
[M+H-H2O]+ 151.066000 124.2
[M+HCOO]- 213.066941 154.8
[M+CH3COO]- 227.082591 146.1
[M+Na-2H]- 189.043406 142.4
[M]+ 168.06819142 133.3
[M]- 168.06928858 133.3
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

patents stripe