CID 60638636

35891-99-7

Structural Information

Molecular Formula

C₁₃H₂₀N₂O

SMILES

CCCNC(C)C(=O)NC1=CC=C(C=C1)C

InChI

InChI=1S/C13H20N2O/c1-4-9-14-11(3)13(16)15-12-7-5-10(2)6-8-12/h5-8,11,14H,4,9H2,1-3H3,(H,15,16)

InChIKey

AQVLBLGVVXVVHN-UHFFFAOYSA-N

Compound name

N-(4-methylphenyl)-2-(propylamino)propanamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 220.15756 Da
Monoisotopic Mass: 2.1
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]+	221.16484	153.5
[M+Na]+	243.14678	158.2
[M-H]-	219.15028	156.7
[M+NH4]+	238.19138	171.3
[M+K]+	259.12072	156.1
[M+H-H2O]+	203.15482	146.6
[M+HCOO]-	265.15576	177.2
[M+CH3COO]-	279.17141	196.6
[M+Na-2H]-	241.13223	156.8
[M]+	220.15701	153.1
[M]-	220.15811	153.1

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.