CID 280649

Mls002920165

Structural Information

Molecular Formula

C₁₅H₁₅NO

SMILES

CC1=C(C(=CC=C1)N=CC2=CC=CC=C2O)C

InChI

InChI=1S/C15H15NO/c1-11-6-5-8-14(12(11)2)16-10-13-7-3-4-9-15(13)17/h3-10,17H,1-2H3

InChIKey

CGAZQAQAVMZWCB-UHFFFAOYSA-N

Compound name

2-[(2,3-dimethylphenyl)iminomethyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 45
Patents: 225.11537 Da
Monoisotopic Mass: 3.6
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	150.1
[M+Na]+	248.10459	158.7
[M-H]-	224.10809	157.5
[M+NH4]+	243.14919	168.5
[M+K]+	264.07853	154.5
[M+H-H2O]+	208.11263	142.9
[M+HCOO]-	270.11357	175.7
[M+CH3COO]-	284.12922	193.8
[M+Na-2H]-	246.09004	155.9
[M]+	225.11482	150.7
[M]-	225.11592	150.7

Literature stripe

literature stripe

Patent stripe

patents stripe