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]+ 256.109876 155.6
[M+Na]+ 278.091818 164.2
[M-H]- 254.095324 160.1
[M+NH4]+ 273.136423 175.1
[M+K]+ 294.065758 160.3
[M+H-H2O]+ 238.099860 150.3
[M+HCOO]- 300.100801 172.7
[M+CH3COO]- 314.116451 198.8
[M+Na-2H]- 276.077266 160.0
[M]+ 255.10205142 158.7
[M]- 255.10314858 158.7
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.