CID 152438

22102-92-7

Structural Information

Molecular Formula

C₁₀H₁₅NO₄

SMILES

CCCCCC(=O)ON1C(=O)CCC1=O

InChI

InChI=1S/C10H15NO4/c1-2-3-4-5-10(14)15-11-8(12)6-7-9(11)13/h2-7H2,1H3

InChIKey

HNYAWMSQSBERBE-UHFFFAOYSA-N

Compound name

(2,5-dioxopyrrolidin-1-yl) hexanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 690
Patents: 213.10011 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]+	214.107386	146.0
[M+Na]+	236.089328	153.1
[M-H]-	212.092834	147.9
[M+NH4]+	231.133933	165.2
[M+K]+	252.063268	152.2
[M+H-H2O]+	196.097370	139.9
[M+HCOO]-	258.098311	167.2
[M+CH3COO]-	272.113961	185.8
[M+Na-2H]-	234.074776	147.0
[M]+	213.09956142	148.3
[M]-	213.10065858	148.3

Literature stripe

literature stripe

Patent stripe

patents stripe