CID 130614773

3-chloro-5,6,7,8-tetrahydroquinoxalin-2-ol

Structural Information

Molecular Formula
C8H9ClN2O
SMILES
C1CCC2=C(C1)NC(=O)C(=N2)Cl
InChI
InChI=1S/C8H9ClN2O/c9-7-8(12)11-6-4-2-1-3-5(6)10-7/h1-4H2,(H,11,12)
InChIKey
FDKXWLXJJYJGIB-UHFFFAOYSA-N
Compound name
3-chloro-5,6,7,8-tetrahydro-1H-quinoxalin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.04034 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.047616 134.5
[M+Na]+ 207.029558 144.2
[M-H]- 183.033064 134.8
[M+NH4]+ 202.074163 153.1
[M+K]+ 223.003498 139.2
[M+H-H2O]+ 167.037600 128.3
[M+HCOO]- 229.038541 148.0
[M+CH3COO]- 243.054191 147.0
[M+Na-2H]- 205.015006 142.1
[M]+ 184.03979142 132.6
[M]- 184.04088858 132.6
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.