CID 36822

5,6,7,8-tetrahydroquinoxaline

Structural Information

Molecular Formula
C8H10N2
SMILES
C1CCC2=NC=CN=C2C1
InChI
InChI=1S/C8H10N2/c1-2-4-8-7(3-1)9-5-6-10-8/h5-6H,1-4H2
InChIKey
XCZPDOCRSYZOBI-UHFFFAOYSA-N
Compound name
5,6,7,8-tetrahydroquinoxaline
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

1
References

1801
Patents

134.0844 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.091676 125.6
[M+Na]+ 157.073618 132.9
[M-H]- 133.077124 126.8
[M+NH4]+ 152.118223 145.6
[M+K]+ 173.047558 130.6
[M+H-H2O]+ 117.081660 118.2
[M+HCOO]- 179.082601 145.0
[M+CH3COO]- 193.098251 138.6
[M+Na-2H]- 155.059066 135.8
[M]+ 134.08385142 122.1
[M]- 134.08494858 122.1
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