CID 11041035

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

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

CC(C)NC1=CC=CC=C1C=O

InChI

InChI=1S/C10H13NO/c1-8(2)11-10-6-4-3-5-9(10)7-12/h3-8,11H,1-2H3

InChIKey

VEENASAWEHHFHV-UHFFFAOYSA-N

Compound name

2-(propan-2-ylamino)benzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 147
Patents: 163.09972 Da
Monoisotopic Mass: 2.7
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]+	164.10700	134.5
[M+Na]+	186.08894	141.6
[M-H]-	162.09244	138.4
[M+NH4]+	181.13354	155.1
[M+K]+	202.06288	139.8
[M+H-H2O]+	146.09698	128.7
[M+HCOO]-	208.09792	159.3
[M+CH3COO]-	222.11357	182.3
[M+Na-2H]-	184.07439	140.6
[M]+	163.09917	134.5
[M]-	163.10027	134.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe