CID 114547

13562-21-5

Structural Information

Molecular Formula

C₁₉H₃₁NO

SMILES

CCN(CC)CCC(C1CCCCC1)(C2=CC=CC=C2)O

InChI

InChI=1S/C19H31NO/c1-3-20(4-2)16-15-19(21,17-11-7-5-8-12-17)18-13-9-6-10-14-18/h5,7-8,11-12,18,21H,3-4,6,9-10,13-16H2,1-2H3

InChIKey

IOZLFEFPJZYFFY-UHFFFAOYSA-N

Compound name

1-cyclohexyl-3-(diethylamino)-1-phenylpropan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 4
Patents: 289.24057 Da
Monoisotopic Mass: 4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	290.24785	173.7
[M+Na]+	312.22979	174.2
[M-H]-	288.23329	178.1
[M+NH4]+	307.27439	188.2
[M+K]+	328.20373	171.2
[M+H-H2O]+	272.23783	165.6
[M+HCOO]-	334.23877	190.6
[M+CH3COO]-	348.25442	206.2
[M+Na-2H]-	310.21524	175.9
[M]+	289.24002	169.8
[M]-	289.24112	169.8

Literature stripe

literature stripe

Patent stripe

patents stripe