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]+ 251.139016 154.3
[M+Na]+ 273.120958 159.7
[M-H]- 249.124464 159.8
[M+NH4]+ 268.165563 172.2
[M+K]+ 289.094898 154.8
[M+H-H2O]+ 233.129000 152.0
[M+HCOO]- 295.129941 177.2
[M+CH3COO]- 309.145591 196.7
[M+Na-2H]- 271.106406 160.3
[M]+ 250.13119142 153.5
[M]- 250.13228858 153.5
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

No patent data available for this compound.