CID 93179

2,6-diethyl-n-methyleneaniline

Structural Information

Molecular Formula

C₁₁H₁₅N

SMILES

CCC1=C(C(=CC=C1)CC)N=C

InChI

InChI=1S/C11H15N/c1-4-9-7-6-8-10(5-2)11(9)12-3/h6-8H,3-5H2,1-2H3

InChIKey

ZMBSRNHDTFKMLI-UHFFFAOYSA-N

Compound name

N-(2,6-diethylphenyl)methanimine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 1
References: 52
Patents: 161.12045 Da
Monoisotopic Mass: 4.5
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]+	162.12773	134.0
[M+Na]+	184.10967	142.4
[M-H]-	160.11317	139.4
[M+NH4]+	179.15427	155.9
[M+K]+	200.08361	140.4
[M+H-H2O]+	144.11771	128.1
[M+HCOO]-	206.11865	160.7
[M+CH3COO]-	220.13430	186.3
[M+Na-2H]-	182.09512	140.7
[M]+	161.11990	135.9
[M]-	161.12100	135.9

Literature stripe

literature stripe

Patent stripe

patents stripe