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]+ 278.211476 164.6
[M+Na]+ 300.193418 166.8
[M-H]- 276.196924 171.4
[M+NH4]+ 295.238023 181.0
[M+K]+ 316.167358 169.3
[M+H-H2O]+ 260.201460 158.2
[M+HCOO]- 322.202401 183.4
[M+CH3COO]- 336.218051 204.1
[M+Na-2H]- 298.178866 166.7
[M]+ 277.20365142 160.0
[M]- 277.20474858 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.