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: 110
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	142.9
[M+Na]+	222.08894	150.7
[M-H]-	198.09244	148.3
[M+NH4]+	217.13354	161.1
[M+K]+	238.06288	146.2
[M+H-H2O]+	182.09698	136.2
[M+HCOO]-	244.09792	166.9
[M+CH3COO]-	258.11357	185.0
[M+Na-2H]-	220.07439	149.1
[M]+	199.09917	140.4
[M]-	199.10027	140.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe