CID 46455

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

Structural Information

Molecular Formula
C13H18FNO
SMILES
CN(C)C1CCCC2=C(C=CC(=C12)F)OC
InChI
InChI=1S/C13H18FNO/c1-15(2)11-6-4-5-9-12(16-3)8-7-10(14)13(9)11/h7-8,11H,4-6H2,1-3H3
InChIKey
MPJNVASFLPVGJX-UHFFFAOYSA-N
Compound name
8-fluoro-5-methoxy-N,N-dimethyl-1,2,3,4-tetrahydronaphthalen-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.13724 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.144516 148.8
[M+Na]+ 246.126458 155.9
[M-H]- 222.129964 153.2
[M+NH4]+ 241.171063 169.0
[M+K]+ 262.100398 154.1
[M+H-H2O]+ 206.134500 141.4
[M+HCOO]- 268.135441 169.7
[M+CH3COO]- 282.151091 198.0
[M+Na-2H]- 244.111906 153.0
[M]+ 223.13669142 148.0
[M]- 223.13778858 148.0
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.