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
5
Annotation Hits

6
References

130
Patents

249.17288 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.180156 160.1
[M+Na]+ 272.162098 163.0
[M-H]- 248.165604 163.0
[M+NH4]+ 267.206703 177.0
[M+K]+ 288.136038 159.6
[M+H-H2O]+ 232.170140 153.5
[M+HCOO]- 294.171081 177.2
[M+CH3COO]- 308.186731 191.6
[M+Na-2H]- 270.147546 163.2
[M]+ 249.17233142 153.7
[M]- 249.17342858 153.7
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