CID 615452

Ethyl 3-methyl-2-(quinoxalin-2-yl)acetate

Structural Information

Molecular Formula
C13H14N2O2
SMILES
CCOC(=O)CC1=NC2=CC=CC=C2N=C1C
InChI
InChI=1S/C13H14N2O2/c1-3-17-13(16)8-12-9(2)14-10-6-4-5-7-11(10)15-12/h4-7H,3,8H2,1-2H3
InChIKey
ZTJBBLDJQXJLCI-UHFFFAOYSA-N
Compound name
ethyl 2-(3-methylquinoxalin-2-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.10553 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.11281 151.4
[M+Na]+ 253.09475 160.4
[M-H]- 229.09825 153.3
[M+NH4]+ 248.13935 168.0
[M+K]+ 269.06869 157.3
[M+H-H2O]+ 213.10279 143.3
[M+HCOO]- 275.10373 171.5
[M+CH3COO]- 289.11938 191.8
[M+Na-2H]- 251.08020 158.2
[M]+ 230.10498 154.7
[M]- 230.10608 154.7
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

patents stripe