CID 45889

1-naphthylamine, 1,2,3,4-tetrahydro-5-chloro-7,8-dimethoxy-n-methyl-, hydrochloride

Structural Information

Molecular Formula
C13H18ClNO2
SMILES
CNC1CCCC2=C(C=C(C(=C12)OC)OC)Cl
InChI
InChI=1S/C13H18ClNO2/c1-15-10-6-4-5-8-9(14)7-11(16-2)13(17-3)12(8)10/h7,10,15H,4-6H2,1-3H3
InChIKey
BKFKAEDRVIUNEP-UHFFFAOYSA-N
Compound name
5-chloro-7,8-dimethoxy-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.1026 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.10988 154.0
[M+Na]+ 278.09182 167.5
[M+NH4]+ 273.13642 163.5
[M+K]+ 294.06576 159.7
[M-H]- 254.09532 157.7
[M+Na-2H]- 276.07727 159.7
[M]+ 255.10205 157.3
[M]- 255.10315 157.3
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.