CID 18525704

6-ethynylquinoxaline

Structural Information

Molecular Formula
C10H6N2
SMILES
C#CC1=CC2=NC=CN=C2C=C1
InChI
InChI=1S/C10H6N2/c1-2-8-3-4-9-10(7-8)12-6-5-11-9/h1,3-7H
InChIKey
QSYDWUWZZBZOCD-UHFFFAOYSA-N
Compound name
6-ethynylquinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

40
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

No literature data available for this compound.

Patent stripe

patents stripe