CID 2766152

1008665-68-6

Structural Information

Molecular Formula
C12H12N2O3
SMILES
C1CC2C(=O)NC3=C(N2C1)C=CC(=C3)C(=O)O
InChI
InChI=1S/C12H12N2O3/c15-11-10-2-1-5-14(10)9-4-3-7(12(16)17)6-8(9)13-11/h3-4,6,10H,1-2,5H2,(H,13,15)(H,16,17)
InChIKey
ILCIRRSQEUVMSA-UHFFFAOYSA-N
Compound name
4-oxo-2,3,3a,5-tetrahydro-1H-pyrrolo[1,2-a]quinoxaline-7-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.0848 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.092076 150.1
[M+Na]+ 255.074018 157.7
[M-H]- 231.077524 150.0
[M+NH4]+ 250.118623 167.7
[M+K]+ 271.047958 153.3
[M+H-H2O]+ 215.082060 143.5
[M+HCOO]- 277.083001 164.0
[M+CH3COO]- 291.098651 160.8
[M+Na-2H]- 253.059466 153.1
[M]+ 232.08425142 145.9
[M]- 232.08534858 145.9
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.