CID 66695

4-(diethylamino)-2-methylbenzaldehyde

Structural Information

Molecular Formula

C₁₂H₁₇NO

SMILES

CCN(CC)C1=CC(=C(C=C1)C=O)C

InChI

InChI=1S/C12H17NO/c1-4-13(5-2)12-7-6-11(9-14)10(3)8-12/h6-9H,4-5H2,1-3H3

InChIKey

KCZRCYBAYWJVGD-UHFFFAOYSA-N

Compound name

4-(diethylamino)-2-methylbenzaldehyde

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 85
Patents: 191.13101 Da
Monoisotopic Mass: 2.6
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]+	192.13829	143.5
[M+Na]+	214.12023	156.2
[M+NH4]+	209.16483	152.2
[M+K]+	230.09417	149.1
[M-H]-	190.12373	146.8
[M+Na-2H]-	212.10568	150.5
[M]+	191.13046	146.2
[M]-	191.13156	146.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe