CID 46466

1-naphthylamine, 1,2,3,4-tetrahydro-n,n-dimethyl-5-methoxy-6-nitro-, hydrochloride

Structural Information

Molecular Formula
C13H18N2O3
SMILES
CN(C)C1CCCC2=C1C=CC(=C2OC)[N+](=O)[O-]
InChI
InChI=1S/C13H18N2O3/c1-14(2)11-6-4-5-10-9(11)7-8-12(15(16)17)13(10)18-3/h7-8,11H,4-6H2,1-3H3
InChIKey
ODCSPJHYHHLWLN-UHFFFAOYSA-N
Compound name
5-methoxy-N,N-dimethyl-6-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 154.3
[M+Na]+ 273.12096 159.7
[M-H]- 249.12446 159.8
[M+NH4]+ 268.16556 172.2
[M+K]+ 289.09490 154.8
[M+H-H2O]+ 233.12900 152.0
[M+HCOO]- 295.12994 177.2
[M+CH3COO]- 309.14559 196.7
[M+Na-2H]- 271.10641 160.3
[M]+ 250.13119 153.5
[M]- 250.13229 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.