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

42
Patents

154.0531 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.06038 131.0
[M+Na]+ 177.04232 142.8
[M-H]- 153.04582 130.7
[M+NH4]+ 172.08692 148.0
[M+K]+ 193.01626 136.7
[M+H-H2O]+ 137.05036 117.4
[M+HCOO]- 199.05130 146.6
[M+CH3COO]- 213.06695 142.6
[M+Na-2H]- 175.02777 139.6
[M]+ 154.05255 125.0
[M]- 154.05365 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