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]+ 165.10224 135.1
[M+Na]+ 187.08418 143.0
[M-H]- 163.08768 134.1
[M+NH4]+ 182.12878 153.1
[M+K]+ 203.05812 139.1
[M+H-H2O]+ 147.09222 128.5
[M+HCOO]- 209.09316 151.3
[M+CH3COO]- 223.10881 146.9
[M+Na-2H]- 185.06963 142.2
[M]+ 164.09441 130.5
[M]- 164.09551 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.