CID 70983

4-dimethylamino-o-tolualdehyde

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

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

InChI

InChI=1S/C10H13NO/c1-8-6-10(11(2)3)5-4-9(8)7-12/h4-7H,1-3H3

InChIKey

XZWMCPUAUNHGPF-UHFFFAOYSA-N

Compound name

4-(dimethylamino)-2-methylbenzaldehyde

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 704
Patents: 163.09972 Da
Monoisotopic Mass: 1.9
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]+	164.106996	133.0
[M+Na]+	186.088938	141.5
[M-H]-	162.092444	138.7
[M+NH4]+	181.133543	154.7
[M+K]+	202.062878	140.7
[M+H-H2O]+	146.096980	127.2
[M+HCOO]-	208.097921	159.3
[M+CH3COO]-	222.113571	186.1
[M+Na-2H]-	184.074386	139.0
[M]+	163.09917142	135.4
[M]-	163.10026858	135.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe