CID 104383

P-methylaminopropiophenone

Structural Information

Molecular Formula

C₁₀H₁₃NO

SMILES

CCC(=O)C1=CC=C(C=C1)NC

InChI

InChI=1S/C10H13NO/c1-3-10(12)8-4-6-9(11-2)7-5-8/h4-7,11H,3H2,1-2H3

InChIKey

MPXOQEAPYGISHY-UHFFFAOYSA-N

Compound name

1-[4-(methylamino)phenyl]propan-1-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 25
Patents: 163.09972 Da
Monoisotopic Mass: 2.4
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