CID 510567

Mls000038127

Structural Information

Molecular Formula
C12H12N2O3
SMILES
CC1=CC2=C(C=C1)N(C(=C([N+]2=O)C(=O)C)C)[O-]
InChI
InChI=1S/C12H12N2O3/c1-7-4-5-10-11(6-7)14(17)12(9(3)15)8(2)13(10)16/h4-6H,1-3H3
InChIKey
LJLPQMJGTVODHW-UHFFFAOYSA-N
Compound name
1-(3,7-dimethyl-4-oxido-1-oxoquinoxalin-1-ium-2-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

232.0848 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.09208 148.4
[M+Na]+ 255.07402 159.8
[M-H]- 231.07752 150.4
[M+NH4]+ 250.11862 164.6
[M+K]+ 271.04796 151.5
[M+H-H2O]+ 215.08206 146.2
[M+HCOO]- 277.08300 168.2
[M+CH3COO]- 291.09865 184.2
[M+Na-2H]- 253.05947 155.4
[M]+ 232.08425 149.5
[M]- 232.08535 149.5
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.