CID 252513

7-nitro-1,2,3,4-tetrahydroquinoline

Structural Information

Molecular Formula
C9H10N2O2
SMILES
C1CC2=C(C=C(C=C2)[N+](=O)[O-])NC1
InChI
InChI=1S/C9H10N2O2/c12-11(13)8-4-3-7-2-1-5-10-9(7)6-8/h3-4,6,10H,1-2,5H2
InChIKey
WSWMGHRLUYADNA-UHFFFAOYSA-N
Compound name
7-nitro-1,2,3,4-tetrahydroquinoline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1878
Patents

178.07423 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.08151 133.7
[M+Na]+ 201.06345 139.6
[M-H]- 177.06695 135.1
[M+NH4]+ 196.10805 151.7
[M+K]+ 217.03739 132.6
[M+H-H2O]+ 161.07149 131.8
[M+HCOO]- 223.07243 153.7
[M+CH3COO]- 237.08808 171.8
[M+Na-2H]- 199.04890 143.2
[M]+ 178.07368 127.5
[M]- 178.07478 127.5
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