CID 23363

Quinoxaline 1-oxide

Structural Information

Molecular Formula
C8H6N2O
SMILES
C1=CC=C2C(=C1)N=CC=[N+]2[O-]
InChI
InChI=1S/C8H6N2O/c11-10-6-5-9-7-3-1-2-4-8(7)10/h1-6H
InChIKey
OARGFWQSVACNCO-UHFFFAOYSA-N
Compound name
1-oxidoquinoxalin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2744
Patents

146.04802 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.055296 125.6
[M+Na]+ 169.037238 135.0
[M-H]- 145.040744 126.6
[M+NH4]+ 164.081843 144.4
[M+K]+ 185.011178 127.5
[M+H-H2O]+ 129.045280 123.4
[M+HCOO]- 191.046221 147.1
[M+CH3COO]- 205.061871 164.8
[M+Na-2H]- 167.022686 138.4
[M]+ 146.04747142 123.0
[M]- 146.04856858 123.0
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