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: 53
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	147.7
[M+Na]+	234.08894	162.4
[M+NH4]+	229.13354	157.1
[M+K]+	250.06288	153.6
[M-H]-	210.09244	153.4
[M+Na-2H]-	232.07439	158.4
[M]+	211.09917	151.5
[M]-	211.10027	151.5

Literature stripe

literature stripe

Patent stripe

patents stripe