CID 12169756

5-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)9-5-1-4-8-7(9)3-2-6-10-8/h1,4-5,10H,2-3,6H2
InChIKey
SLKNPFUKDWYVGF-UHFFFAOYSA-N
Compound name
5-nitro-1,2,3,4-tetrahydroquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

178.07423 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.081506 133.7
[M+Na]+ 201.063448 139.6
[M-H]- 177.066954 135.1
[M+NH4]+ 196.108053 151.7
[M+K]+ 217.037388 132.6
[M+H-H2O]+ 161.071490 131.8
[M+HCOO]- 223.072431 153.7
[M+CH3COO]- 237.088081 171.8
[M+Na-2H]- 199.048896 143.2
[M]+ 178.07368142 127.5
[M]- 178.07477858 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