CID 420719

69875-94-1

Structural Information

Molecular Formula

C₁₅H₁₇NO₂

SMILES

COC1=C(C=CC(=C1)CNCC2=CC=CC=C2)O

InChI

InChI=1S/C15H17NO2/c1-18-15-9-13(7-8-14(15)17)11-16-10-12-5-3-2-4-6-12/h2-9,16-17H,10-11H2,1H3

InChIKey

KXXBEKGUFGRVPY-UHFFFAOYSA-N

Compound name

4-[(benzylamino)methyl]-2-methoxyphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 2
Patents: 243.12593 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]+	244.133206	154.7
[M+Na]+	266.115148	161.4
[M-H]-	242.118654	160.2
[M+NH4]+	261.159753	171.2
[M+K]+	282.089088	157.4
[M+H-H2O]+	226.123190	147.2
[M+HCOO]-	288.124131	178.8
[M+CH3COO]-	302.139781	193.7
[M+Na-2H]-	264.100596	160.8
[M]+	243.12538142	155.2
[M]-	243.12647858	155.2

Literature stripe

literature stripe

Patent stripe

patents stripe