CID 60389

Brn 3301394

Structural Information

Molecular Formula
C17H27NO
SMILES
CCCC1=C(C=CC(=C1)C(C)N)OC2CCCCC2
InChI
InChI=1S/C17H27NO/c1-3-7-15-12-14(13(2)18)10-11-17(15)19-16-8-5-4-6-9-16/h10-13,16H,3-9,18H2,1-2H3
InChIKey
SCVGFNOCQUAHKB-UHFFFAOYSA-N
Compound name
1-(4-cyclohexyloxy-3-propylphenyl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.20926 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.216536 165.7
[M+Na]+ 284.198478 168.6
[M-H]- 260.201984 170.5
[M+NH4]+ 279.243083 181.7
[M+K]+ 300.172418 165.3
[M+H-H2O]+ 244.206520 157.9
[M+HCOO]- 306.207461 184.3
[M+CH3COO]- 320.223111 201.5
[M+Na-2H]- 282.183926 165.7
[M]+ 261.20871142 161.4
[M]- 261.20980858 161.4
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.