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]+ 215.081506 151.1
[M+Na]+ 237.063448 161.9
[M-H]- 213.066954 155.7
[M+NH4]+ 232.108053 162.6
[M+K]+ 253.037388 156.7
[M+H-H2O]+ 197.071490 143.0
[M+HCOO]- 259.072431 170.5
[M+CH3COO]- 273.088081 162.8
[M+Na-2H]- 235.048896 157.6
[M]+ 214.07368142 153.2
[M]- 214.07477858 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.