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]+ 264.19582 163.8
[M+Na]+ 286.17776 167.1
[M-H]- 262.18126 169.3
[M+NH4]+ 281.22236 181.6
[M+K]+ 302.15170 165.2
[M+H-H2O]+ 246.18580 156.4
[M+HCOO]- 308.18674 183.6
[M+CH3COO]- 322.20239 199.5
[M+Na-2H]- 284.16321 167.3
[M]+ 263.18799 161.5
[M]- 263.18909 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.