CID 83671762

3-cyclopropylquinoxaline-2-carboxylic acid

Structural Information

Molecular Formula
C12H10N2O2
SMILES
C1CC1C2=NC3=CC=CC=C3N=C2C(=O)O
InChI
InChI=1S/C12H10N2O2/c15-12(16)11-10(7-5-6-7)13-8-3-1-2-4-9(8)14-11/h1-4,7H,5-6H2,(H,15,16)
InChIKey
MEJKYRSNQQDUER-UHFFFAOYSA-N
Compound name
3-cyclopropylquinoxaline-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.07423 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.08151 151.1
[M+Na]+ 237.06345 161.9
[M-H]- 213.06695 155.7
[M+NH4]+ 232.10805 162.6
[M+K]+ 253.03739 156.7
[M+H-H2O]+ 197.07149 143.0
[M+HCOO]- 259.07243 170.5
[M+CH3COO]- 273.08808 162.8
[M+Na-2H]- 235.04890 157.6
[M]+ 214.07368 153.2
[M]- 214.07478 153.2
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.