CID 52737

Brn 3330842

Structural Information

Molecular Formula
C17H25NO
SMILES
CC(C1=CC=C(C=C1)OC2CCCCC2)NCC=C
InChI
InChI=1S/C17H25NO/c1-3-13-18-14(2)15-9-11-17(12-10-15)19-16-7-5-4-6-8-16/h3,9-12,14,16,18H,1,4-8,13H2,2H3
InChIKey
QUJQSPSQAUYWRU-UHFFFAOYSA-N
Compound name
N-[1-(4-cyclohexyloxyphenyl)ethyl]prop-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

259.1936 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.200876 163.9
[M+Na]+ 282.182818 166.1
[M-H]- 258.186324 168.9
[M+NH4]+ 277.227423 179.8
[M+K]+ 298.156758 162.5
[M+H-H2O]+ 242.190860 155.9
[M+HCOO]- 304.191801 183.4
[M+CH3COO]- 318.207451 200.1
[M+Na-2H]- 280.168266 165.7
[M]+ 259.19305142 159.5
[M]- 259.19414858 159.5
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

patents stripe