CID 139597350

Ns00000957

Structural Information

Molecular Formula
C17H27NO3
SMILES
CN(C)CC(C1=CC(=C(C=C1)OC)O)C2(CCCCC2)O
InChI
InChI=1S/C17H27NO3/c1-18(2)12-14(17(20)9-5-4-6-10-17)13-7-8-16(21-3)15(19)11-13/h7-8,11,14,19-20H,4-6,9-10,12H2,1-3H3
InChIKey
UPQPSZARTIXFPT-UHFFFAOYSA-N
Compound name
5-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]-2-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.1991 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.206376 171.2
[M+Na]+ 316.188318 174.2
[M-H]- 292.191824 175.6
[M+NH4]+ 311.232923 187.3
[M+K]+ 332.162258 172.6
[M+H-H2O]+ 276.196360 164.3
[M+HCOO]- 338.197301 188.4
[M+CH3COO]- 352.212951 204.3
[M+Na-2H]- 314.173766 172.1
[M]+ 293.19855142 168.7
[M]- 293.19964858 168.7
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.