CID 139597253

Ns00000926

Structural Information

Molecular Formula
C16H25NO4
SMILES
CN(C)CC1CCC(CC1(C2=C(C=CC(=C2)OC)O)O)O
InChI
InChI=1S/C16H25NO4/c1-17(2)10-11-4-5-12(18)9-16(11,20)14-8-13(21-3)6-7-15(14)19/h6-8,11-12,18-20H,4-5,9-10H2,1-3H3
InChIKey
TZYWSXFKKVEEMN-UHFFFAOYSA-N
Compound name
6-[(dimethylamino)methyl]-1-(2-hydroxy-5-methoxyphenyl)cyclohexane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.17834 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.185616 169.0
[M+Na]+ 318.167558 174.0
[M-H]- 294.171064 172.8
[M+NH4]+ 313.212163 184.9
[M+K]+ 334.141498 171.9
[M+H-H2O]+ 278.175600 162.6
[M+HCOO]- 340.176541 186.1
[M+CH3COO]- 354.192191 202.8
[M+Na-2H]- 316.153006 169.9
[M]+ 295.17779142 167.2
[M]- 295.17888858 167.2
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.