CID 43166880

1094564-01-8

Structural Information

Molecular Formula

C₁₀H₁₇NO₃

SMILES

CC(C)CC(C(=O)O)N1CCCC1=O

InChI

InChI=1S/C10H17NO3/c1-7(2)6-8(10(13)14)11-5-3-4-9(11)12/h7-8H,3-6H2,1-2H3,(H,13,14)

InChIKey

CADKLWSMKRZJQX-UHFFFAOYSA-N

Compound name

4-methyl-2-(2-oxopyrrolidin-1-yl)pentanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 199.12085 Da
Monoisotopic Mass: 1.1
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]+	200.128126	146.5
[M+Na]+	222.110068	151.5
[M-H]-	198.113574	146.8
[M+NH4]+	217.154673	165.2
[M+K]+	238.084008	150.8
[M+H-H2O]+	182.118110	140.6
[M+HCOO]-	244.119051	163.7
[M+CH3COO]-	258.134701	183.3
[M+Na-2H]-	220.095516	145.1
[M]+	199.12030142	144.6
[M]-	199.12139858	144.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.