CID 18010

Brn 2743782

Structural Information

Molecular Formula
C17H27NO2
SMILES
CN(C)CC1CCCCCC1(C2=CC(=CC=C2)OC)O
InChI
InChI=1S/C17H27NO2/c1-18(2)13-15-8-5-4-6-11-17(15,19)14-9-7-10-16(12-14)20-3/h7,9-10,12,15,19H,4-6,8,11,13H2,1-3H3
InChIKey
BSGAGLMAXMFSQU-UHFFFAOYSA-N
Compound name
2-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cycloheptan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.2042 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.21148 164.6
[M+Na]+ 300.19342 166.8
[M-H]- 276.19692 171.4
[M+NH4]+ 295.23802 181.0
[M+K]+ 316.16736 169.3
[M+H-H2O]+ 260.20146 158.2
[M+HCOO]- 322.20240 183.4
[M+CH3COO]- 336.21805 204.1
[M+Na-2H]- 298.17887 166.7
[M]+ 277.20365 160.0
[M]- 277.20475 160.0
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.