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]+ 260.20088 163.9
[M+Na]+ 282.18282 166.1
[M-H]- 258.18632 168.9
[M+NH4]+ 277.22742 179.8
[M+K]+ 298.15676 162.5
[M+H-H2O]+ 242.19086 155.9
[M+HCOO]- 304.19180 183.4
[M+CH3COO]- 318.20745 200.1
[M+Na-2H]- 280.16827 165.7
[M]+ 259.19305 159.5
[M]- 259.19415 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