CID 11300448

Axomadol hydrochloride

Structural Information

Molecular Formula
C16H25NO3
SMILES
CN(C)CC1CCC(CC1(C2=CC(=CC=C2)OC)O)O
InChI
InChI=1S/C16H25NO3/c1-17(2)11-13-7-8-14(18)10-16(13,19)12-5-4-6-15(9-12)20-3/h4-6,9,13-14,18-19H,7-8,10-11H2,1-3H3
InChIKey
LQJLLAOISDVBJM-UHFFFAOYSA-N
Compound name
6-[(dimethylamino)methyl]-1-(3-methoxyphenyl)cyclohexane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

862
Patents

279.18344 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.19072 166.5
[M+Na]+ 302.17266 177.0
[M+NH4]+ 297.21726 175.4
[M+K]+ 318.14660 169.4
[M-H]- 278.17616 170.1
[M+Na-2H]- 300.15811 173.4
[M]+ 279.18289 169.0
[M]- 279.18399 169.0
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

patents stripe