CID 16227889

808769-25-7

Structural Information

Molecular Formula

C₁₃H₁₃NO

SMILES

C1=CC(=CC=C1CN)C2=CC=C(C=C2)O

InChI

InChI=1S/C13H13NO/c14-9-10-1-3-11(4-2-10)12-5-7-13(15)8-6-12/h1-8,15H,9,14H2

InChIKey

QVCDBOQTJPSXRP-UHFFFAOYSA-N

Compound name

4-[4-(aminomethyl)phenyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 98
Patents: 199.09972 Da
Monoisotopic Mass: 2.1
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]+	200.10700	144.0
[M+Na]+	222.08894	158.4
[M+NH4]+	217.13354	153.3
[M+K]+	238.06288	150.7
[M-H]-	198.09244	149.4
[M+Na-2H]-	220.07439	153.8
[M]+	199.09917	147.6
[M]-	199.10027	147.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe