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]+ 233.09208 150.1
[M+Na]+ 255.07402 157.7
[M-H]- 231.07752 150.0
[M+NH4]+ 250.11862 167.7
[M+K]+ 271.04796 153.3
[M+H-H2O]+ 215.08206 143.5
[M+HCOO]- 277.08300 164.0
[M+CH3COO]- 291.09865 160.8
[M+Na-2H]- 253.05947 153.1
[M]+ 232.08425 145.9
[M]- 232.08535 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.