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]+ 262.21654 165.7
[M+Na]+ 284.19848 168.6
[M-H]- 260.20198 170.5
[M+NH4]+ 279.24308 181.7
[M+K]+ 300.17242 165.3
[M+H-H2O]+ 244.20652 157.9
[M+HCOO]- 306.20746 184.3
[M+CH3COO]- 320.22311 201.5
[M+Na-2H]- 282.18393 165.7
[M]+ 261.20871 161.4
[M]- 261.20981 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.