CID 193251

36874-95-0

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

CN(C)CC1=CC=C(C=C1)C=O

InChI

InChI=1S/C10H13NO/c1-11(2)7-9-3-5-10(8-12)6-4-9/h3-6,8H,7H2,1-2H3

InChIKey

HQDFSQZWAINMKA-UHFFFAOYSA-N

Compound name

4-[(dimethylamino)methyl]benzaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 179
Patents: 163.09972 Da
Monoisotopic Mass: 1.2
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	133.8
[M+Na]+	186.08894	141.4
[M-H]-	162.09244	139.1
[M+NH4]+	181.13354	155.2
[M+K]+	202.06288	140.5
[M+H-H2O]+	146.09698	127.7
[M+HCOO]-	208.09792	160.1
[M+CH3COO]-	222.11357	184.9
[M+Na-2H]-	184.07439	140.4
[M]+	163.09917	135.8
[M]-	163.10027	135.8

Literature stripe

literature stripe

Patent stripe

patents stripe