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]+ 224.14452 148.8
[M+Na]+ 246.12646 155.9
[M-H]- 222.12996 153.2
[M+NH4]+ 241.17106 169.0
[M+K]+ 262.10040 154.1
[M+H-H2O]+ 206.13450 141.4
[M+HCOO]- 268.13544 169.7
[M+CH3COO]- 282.15109 198.0
[M+Na-2H]- 244.11191 153.0
[M]+ 223.13669 148.0
[M]- 223.13779 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.