CID 49919

1-naphthylamine, 1,2,3,4-tetrahydro-n-cyclohexyl-6-methoxy-, hydrochloride

Structural Information

Molecular Formula
C17H25NO
SMILES
COC1=CC2=C(C=C1)C(CCC2)NC3CCCCC3
InChI
InChI=1S/C17H25NO/c1-19-15-10-11-16-13(12-15)6-5-9-17(16)18-14-7-3-2-4-8-14/h10-12,14,17-18H,2-9H2,1H3
InChIKey
KCUSDLMBBHSLBD-UHFFFAOYSA-N
Compound name
N-cyclohexyl-6-methoxy-1,2,3,4-tetrahydronaphthalen-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

259.1936 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.20088 160.9
[M+Na]+ 282.18282 163.4
[M-H]- 258.18632 166.5
[M+NH4]+ 277.22742 177.9
[M+K]+ 298.15676 159.5
[M+H-H2O]+ 242.19086 152.7
[M+HCOO]- 304.19180 178.0
[M+CH3COO]- 318.20745 170.7
[M+Na-2H]- 280.16827 164.5
[M]+ 259.19305 154.0
[M]- 259.19415 154.0
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.