CID 3451347

135308-74-6

Structural Information

Molecular Formula
C15H23NO2
SMILES
CNCC(C1=CC=C(C=C1)O)C2(CCCCC2)O
InChI
InChI=1S/C15H23NO2/c1-16-11-14(12-5-7-13(17)8-6-12)15(18)9-3-2-4-10-15/h5-8,14,16-18H,2-4,9-11H2,1H3
InChIKey
MMSWXJSQCAEDLK-UHFFFAOYSA-N
Compound name
4-[1-(1-hydroxycyclohexyl)-2-(methylamino)ethyl]phenol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

6
References

97
Patents

249.17288 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.18016 160.6
[M+Na]+ 272.16210 170.4
[M+NH4]+ 267.20670 169.8
[M+K]+ 288.13604 162.3
[M-H]- 248.16560 164.1
[M+Na-2H]- 270.14755 167.8
[M]+ 249.17233 162.9
[M]- 249.17343 162.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe