CID 13563030

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

Structural Information

Molecular Formula
C9H10N2O2
SMILES
C1CC2=C(C(=CC=C2)[N+](=O)[O-])NC1
InChI
InChI=1S/C9H10N2O2/c12-11(13)8-5-1-3-7-4-2-6-10-9(7)8/h1,3,5,10H,2,4,6H2
InChIKey
SKMXDVKIYCUVMM-UHFFFAOYSA-N
Compound name
8-nitro-1,2,3,4-tetrahydroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

178.07423 Da
Monoisotopic Mass

2.1
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

No literature data available for this compound.

Patent stripe

patents stripe