CID 24937459

4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]benzene-1,3-diol

Structural Information

Molecular Formula
C16H25NO3
SMILES
CN(C)CC(C1=C(C=C(C=C1)O)O)C2(CCCCC2)O
InChI
InChI=1S/C16H25NO3/c1-17(2)11-14(16(20)8-4-3-5-9-16)13-7-6-12(18)10-15(13)19/h6-7,10,14,18-20H,3-5,8-9,11H2,1-2H3
InChIKey
INRNLKLCNIKNHU-UHFFFAOYSA-N
Compound name
4-[2-(dimethylamino)-1-(1-hydroxycyclohexyl)ethyl]benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.18344 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.190716 167.2
[M+Na]+ 302.172658 170.2
[M-H]- 278.176164 170.4
[M+NH4]+ 297.217263 183.1
[M+K]+ 318.146598 167.9
[M+H-H2O]+ 262.180700 160.8
[M+HCOO]- 324.181641 183.2
[M+CH3COO]- 338.197291 198.9
[M+Na-2H]- 300.158106 168.1
[M]+ 279.18289142 162.5
[M]- 279.18398858 162.5
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.