CID 3056580

1-benzyloxy-2-(dimethylaminomethyl)cyclohexanol

Structural Information

Molecular Formula
C16H25NO2
SMILES
CN(C)CC1CCCCC1(O)OCC2=CC=CC=C2
InChI
InChI=1S/C16H25NO2/c1-17(2)12-15-10-6-7-11-16(15,18)19-13-14-8-4-3-5-9-14/h3-5,8-9,15,18H,6-7,10-13H2,1-2H3
InChIKey
RZQYCLWPTJRMML-UHFFFAOYSA-N
Compound name
2-[(dimethylamino)methyl]-1-phenylmethoxycyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.18854 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.195816 163.8
[M+Na]+ 286.177758 167.1
[M-H]- 262.181264 169.3
[M+NH4]+ 281.222363 181.6
[M+K]+ 302.151698 165.2
[M+H-H2O]+ 246.185800 156.4
[M+HCOO]- 308.186741 183.6
[M+CH3COO]- 322.202391 199.5
[M+Na-2H]- 284.163206 167.3
[M]+ 263.18799142 161.5
[M]- 263.18908858 161.5
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.