CID 28603705

2-[methyl(propan-2-yl)amino]benzaldehyde

Structural Information

Molecular Formula

C₁₁H₁₅NO

SMILES

CC(C)N(C)C1=CC=CC=C1C=O

InChI

InChI=1S/C11H15NO/c1-9(2)12(3)11-7-5-4-6-10(11)8-13/h4-9H,1-3H3

InChIKey

BZJBOXJGAXYGPC-UHFFFAOYSA-N

Compound name

2-[methyl(propan-2-yl)amino]benzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 57
Patents: 177.11537 Da
Monoisotopic Mass: 2.3
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]+	178.12265	139.5
[M+Na]+	200.10459	151.7
[M+NH4]+	195.14919	148.3
[M+K]+	216.07853	145.5
[M-H]-	176.10809	142.6
[M+Na-2H]-	198.09004	146.6
[M]+	177.11482	142.1
[M]-	177.11592	142.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe