CID 359385

94230-88-3

Structural Information

Molecular Formula
C16H21NO2
SMILES
COC1=CC=C(C=C1)C(=O)NCCC2=CCCCC2
InChI
InChI=1S/C16H21NO2/c1-19-15-9-7-14(8-10-15)16(18)17-12-11-13-5-3-2-4-6-13/h5,7-10H,2-4,6,11-12H2,1H3,(H,17,18)
InChIKey
ZGTNFZJYRNJFIV-UHFFFAOYSA-N
Compound name
N-[2-(cyclohexen-1-yl)ethyl]-4-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

0
Patents

259.15723 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 260.164506 161.4
[M+Na]+ 282.146448 165.0
[M-H]- 258.149954 166.9
[M+NH4]+ 277.191053 177.3
[M+K]+ 298.120388 162.0
[M+H-H2O]+ 242.154490 153.3
[M+HCOO]- 304.155431 182.9
[M+CH3COO]- 318.171081 198.1
[M+Na-2H]- 280.131896 164.8
[M]+ 259.15668142 159.4
[M]- 259.15777858 159.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.