CID 71643

Norletimol

Structural Information

Molecular Formula

C₁₄H₁₃NO

SMILES

C1=CC=C(C=C1)CN=CC2=CC=CC=C2O

InChI

InChI=1S/C14H13NO/c16-14-9-5-4-8-13(14)11-15-10-12-6-2-1-3-7-12/h1-9,11,16H,10H2

InChIKey

LPSMMAHYAIVSQW-UHFFFAOYSA-N

Compound name

2-(benzyliminomethyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 17
References: 54
Patents: 211.09972 Da
Monoisotopic Mass: 2.8
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]+	212.10700	145.8
[M+Na]+	234.08894	152.9
[M-H]-	210.09244	152.5
[M+NH4]+	229.13354	164.1
[M+K]+	250.06288	148.8
[M+H-H2O]+	194.09698	138.3
[M+HCOO]-	256.09792	171.7
[M+CH3COO]-	270.11357	188.5
[M+Na-2H]-	232.07439	153.6
[M]+	211.09917	145.2
[M]-	211.10027	145.2

Literature stripe

literature stripe

Patent stripe

patents stripe