CID 118513

33625-43-3

Structural Information

Molecular Formula

C₁₃H₁₉NO₂

SMILES

CC1=CC(=C(C=C1O)C)CN2CCOCC2

InChI

InChI=1S/C13H19NO2/c1-10-8-13(15)11(2)7-12(10)9-14-3-5-16-6-4-14/h7-8,15H,3-6,9H2,1-2H3

InChIKey

RIQXULCAEXVXDY-UHFFFAOYSA-N

Compound name

2,5-dimethyl-4-(morpholin-4-ylmethyl)phenol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 136
Patents: 221.14159 Da
Monoisotopic Mass: 1.8
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]+	222.14887	151.4
[M+Na]+	244.13081	164.6
[M+NH4]+	239.17541	159.6
[M+K]+	260.10475	158.1
[M-H]-	220.13431	156.1
[M+Na-2H]-	242.11626	157.5
[M]+	221.14104	154.6
[M]-	221.14214	154.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe