CID 46468

1-naphthylamine, 1,2,3,4-tetrahydro-n,n-dimethyl-5-methoxy-8-nitro-, hydrochloride

Structural Information

Molecular Formula
C13H18N2O3
SMILES
CN(C)C1CCCC2=C(C=CC(=C12)[N+](=O)[O-])OC
InChI
InChI=1S/C13H18N2O3/c1-14(2)10-6-4-5-9-12(18-3)8-7-11(13(9)10)15(16)17/h7-8,10H,4-6H2,1-3H3
InChIKey
FWTBPVFGQMDMRH-UHFFFAOYSA-N
Compound name
5-methoxy-N,N-dimethyl-8-nitro-1,2,3,4-tetrahydronaphthalen-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

250.13174 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.13902 153.9
[M+Na]+ 273.12096 166.3
[M+NH4]+ 268.16556 162.6
[M+K]+ 289.09490 162.7
[M-H]- 249.12446 158.6
[M+Na-2H]- 271.10641 159.0
[M]+ 250.13119 156.8
[M]- 250.13229 156.8
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.