CID 12629706

5,6,7,8-tetrahydroquinoxalin-5-ol

Structural Information

Molecular Formula
C8H10N2O
SMILES
C1CC(C2=NC=CN=C2C1)O
InChI
InChI=1S/C8H10N2O/c11-7-3-1-2-6-8(7)10-5-4-9-6/h4-5,7,11H,1-3H2
InChIKey
LYSCEKSEDXBGNS-UHFFFAOYSA-N
Compound name
5,6,7,8-tetrahydroquinoxalin-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

150.07932 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.086596 129.6
[M+Na]+ 173.068538 137.4
[M-H]- 149.072044 129.8
[M+NH4]+ 168.113143 148.5
[M+K]+ 189.042478 134.7
[M+H-H2O]+ 133.076580 122.6
[M+HCOO]- 195.077521 147.6
[M+CH3COO]- 209.093171 142.1
[M+Na-2H]- 171.053986 138.5
[M]+ 150.07877142 126.1
[M]- 150.07986858 126.1
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