CID 10511060

2-ethynylquinoxaline

Structural Information

Molecular Formula
C10H6N2
SMILES
C#CC1=NC2=CC=CC=C2N=C1
InChI
InChI=1S/C10H6N2/c1-2-8-7-11-9-5-3-4-6-10(9)12-8/h1,3-7H
InChIKey
DSBXCMSDHQSXAW-UHFFFAOYSA-N
Compound name
2-ethynylquinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

154.0531 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.060376 131.0
[M+Na]+ 177.042318 142.8
[M-H]- 153.045824 130.7
[M+NH4]+ 172.086923 148.0
[M+K]+ 193.016258 136.7
[M+H-H2O]+ 137.050360 117.4
[M+HCOO]- 199.051301 146.6
[M+CH3COO]- 213.066951 142.6
[M+Na-2H]- 175.027766 139.6
[M]+ 154.05255142 125.0
[M]- 154.05364858 125.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe