CID 16772901

4-(dipropylcarbamoyl)butanoic acid

Structural Information

Molecular Formula

C₁₁H₂₁NO₃

SMILES

CCCN(CCC)C(=O)CCCC(=O)O

InChI

InChI=1S/C11H21NO3/c1-3-8-12(9-4-2)10(13)6-5-7-11(14)15/h3-9H2,1-2H3,(H,14,15)

InChIKey

OSFOQQNTRFDYIB-UHFFFAOYSA-N

Compound name

5-(dipropylamino)-5-oxopentanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 45
Patents: 215.15215 Da
Monoisotopic Mass: 1.3
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]+	216.159426	153.4
[M+Na]+	238.141368	157.6
[M-H]-	214.144874	152.9
[M+NH4]+	233.185973	171.6
[M+K]+	254.115308	157.6
[M+H-H2O]+	198.149410	147.5
[M+HCOO]-	260.150351	174.7
[M+CH3COO]-	274.166001	193.1
[M+Na-2H]-	236.126816	154.2
[M]+	215.15160142	156.6
[M]-	215.15269858	156.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe