CID 115094963

4-methyl-1,2,3,4-tetrahydroquinoxalin-5-ol dihydrochloride

Structural Information

Molecular Formula
C9H12N2O
SMILES
CN1CCNC2=C1C(=CC=C2)O
InChI
InChI=1S/C9H12N2O/c1-11-6-5-10-7-3-2-4-8(12)9(7)11/h2-4,10,12H,5-6H2,1H3
InChIKey
XEPKQROGCBVSJH-UHFFFAOYSA-N
Compound name
4-methyl-2,3-dihydro-1H-quinoxalin-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

164.09496 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.102236 135.1
[M+Na]+ 187.084178 143.0
[M-H]- 163.087684 134.1
[M+NH4]+ 182.128783 153.1
[M+K]+ 203.058118 139.1
[M+H-H2O]+ 147.092220 128.5
[M+HCOO]- 209.093161 151.3
[M+CH3COO]- 223.108811 146.9
[M+Na-2H]- 185.069626 142.2
[M]+ 164.09441142 130.5
[M]- 164.09550858 130.5
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

No patent data available for this compound.