CID 200897

Brn 2743528

Structural Information

Molecular Formula
C17H27NO2
SMILES
CCOC1=CC=CC(=C1)C2(CCCCC2CN(C)C)O
InChI
InChI=1S/C17H27NO2/c1-4-20-16-10-7-9-14(12-16)17(19)11-6-5-8-15(17)13-18(2)3/h7,9-10,12,15,19H,4-6,8,11,13H2,1-3H3
InChIKey
JVIBPRFMADFLJQ-UHFFFAOYSA-N
Compound name
2-[(dimethylamino)methyl]-1-(3-ethoxyphenyl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.2042 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.21148 167.7
[M+Na]+ 300.19342 171.5
[M-H]- 276.19692 173.5
[M+NH4]+ 295.23802 185.3
[M+K]+ 316.16736 169.5
[M+H-H2O]+ 260.20146 160.4
[M+HCOO]- 322.20240 187.2
[M+CH3COO]- 336.21805 203.7
[M+Na-2H]- 298.17887 170.1
[M]+ 277.20365 166.2
[M]- 277.20475 166.2
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.