CID 71840

Oletimol

Structural Information

Molecular Formula

C₁₅H₁₅NO

SMILES

CC(=NCC1=CC=CC=C1)C2=CC=CC=C2O

InChI

InChI=1S/C15H15NO/c1-12(14-9-5-6-10-15(14)17)16-11-13-7-3-2-4-8-13/h2-10,17H,11H2,1H3

InChIKey

DNSDMSAATMZYNW-UHFFFAOYSA-N

Compound name

2-(N-benzyl-C-methylcarbonimidoyl)phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 9
References: 47
Patents: 225.11537 Da
Monoisotopic Mass: 3.0
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]+	226.12265	150.9
[M+Na]+	248.10459	157.3
[M-H]-	224.10809	157.5
[M+NH4]+	243.14919	168.5
[M+K]+	264.07853	153.5
[M+H-H2O]+	208.11263	143.4
[M+HCOO]-	270.11357	175.5
[M+CH3COO]-	284.12922	192.4
[M+Na-2H]-	246.09004	156.9
[M]+	225.11482	150.0
[M]-	225.11592	150.0

Literature stripe

literature stripe

Patent stripe

patents stripe