CID 3015534

31084-17-0

Structural Information

Molecular Formula

C₁₁H₂₃NO₂

SMILES

CCCN(CCC)CC(C)C(=O)OC

InChI

InChI=1S/C11H23NO2/c1-5-7-12(8-6-2)9-10(3)11(13)14-4/h10H,5-9H2,1-4H3

InChIKey

VGUXUBAHVQOINX-UHFFFAOYSA-N

Compound name

methyl 3-(dipropylamino)-2-methylpropanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 201.17288 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]+	202.180156	151.6
[M+Na]+	224.162098	156.0
[M-H]-	200.165604	152.7
[M+NH4]+	219.206703	171.3
[M+K]+	240.136038	157.1
[M+H-H2O]+	184.170140	145.7
[M+HCOO]-	246.171081	174.1
[M+CH3COO]-	260.186731	194.7
[M+Na-2H]-	222.147546	153.0
[M]+	201.17233142	156.1
[M]-	201.17342858	156.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe