CID 16772313

3-(dipropylcarbamoyl)propanoic acid

Structural Information

Molecular Formula

C₁₀H₁₉NO₃

SMILES

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

InChI

InChI=1S/C10H19NO3/c1-3-7-11(8-4-2)9(12)5-6-10(13)14/h3-8H2,1-2H3,(H,13,14)

InChIKey

VHSXMWPTPBCNHB-UHFFFAOYSA-N

Compound name

4-(dipropylamino)-4-oxobutanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 41
Patents: 201.13649 Da
Monoisotopic Mass: 0.9
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]+	202.14377	148.7
[M+Na]+	224.12571	153.3
[M-H]-	200.12921	148.5
[M+NH4]+	219.17031	167.5
[M+K]+	240.09965	153.6
[M+H-H2O]+	184.13375	143.0
[M+HCOO]-	246.13469	170.4
[M+CH3COO]-	260.15034	190.1
[M+Na-2H]-	222.11116	150.1
[M]+	201.13594	151.6
[M]-	201.13704	151.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe