CID 60283

Brn 3286904

Structural Information

Molecular Formula
C16H25NO
SMILES
CCC1=C(C=CC(=C1)C(C)N)OC2CCCCC2
InChI
InChI=1S/C16H25NO/c1-3-13-11-14(12(2)17)9-10-16(13)18-15-7-5-4-6-8-15/h9-12,15H,3-8,17H2,1-2H3
InChIKey
CKRBKLNEXFEACK-UHFFFAOYSA-N
Compound name
1-(4-cyclohexyloxy-3-ethylphenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.19362 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.200896 161.1
[M+Na]+ 270.182838 164.5
[M-H]- 246.186344 166.2
[M+NH4]+ 265.227443 177.7
[M+K]+ 286.156778 161.4
[M+H-H2O]+ 230.190880 153.6
[M+HCOO]- 292.191821 180.1
[M+CH3COO]- 306.207471 198.5
[M+Na-2H]- 268.168286 161.7
[M]+ 247.19307142 156.5
[M]- 247.19416858 156.5
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.