CID 10197942

1,2,3,4-tetrahydro-6-nitroquinoxaline

Structural Information

Molecular Formula
C8H9N3O2
SMILES
C1CNC2=C(N1)C=CC(=C2)[N+](=O)[O-]
InChI
InChI=1S/C8H9N3O2/c12-11(13)6-1-2-7-8(5-6)10-4-3-9-7/h1-2,5,9-10H,3-4H2
InChIKey
ZVDCYZVYRXZJQF-UHFFFAOYSA-N
Compound name
6-nitro-1,2,3,4-tetrahydroquinoxaline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4338
Patents

179.06947 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.07675 133.1
[M+Na]+ 202.05869 139.0
[M-H]- 178.06219 132.0
[M+NH4]+ 197.10329 149.1
[M+K]+ 218.03263 131.2
[M+H-H2O]+ 162.06673 130.8
[M+HCOO]- 224.06767 150.7
[M+CH3COO]- 238.08332 168.9
[M+Na-2H]- 200.04414 143.1
[M]+ 179.06892 125.2
[M]- 179.07002 125.2
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