CID 3056619

Brn 2876843

Structural Information

Molecular Formula
C20H29NO2
SMILES
COC1=CC=CC(=C1)C2(CCCCC2CN(CC=C)CC=C)O
InChI
InChI=1S/C20H29NO2/c1-4-13-21(14-5-2)16-18-9-6-7-12-20(18,22)17-10-8-11-19(15-17)23-3/h4-5,8,10-11,15,18,22H,1-2,6-7,9,12-14,16H2,3H3
InChIKey
ZDQGAJXRPWIUJA-UHFFFAOYSA-N
Compound name
2-[[bis(prop-2-enyl)amino]methyl]-1-(3-methoxyphenyl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.21982 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.22710 178.5
[M+Na]+ 338.20904 181.6
[M-H]- 314.21254 183.6
[M+NH4]+ 333.25364 194.3
[M+K]+ 354.18298 177.6
[M+H-H2O]+ 298.21708 170.7
[M+HCOO]- 360.21802 197.3
[M+CH3COO]- 374.23367 211.1
[M+Na-2H]- 336.19449 179.3
[M]+ 315.21927 176.6
[M]- 315.22037 176.6
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.