CID 43609553

1155632-03-3

Structural Information

Molecular Formula

C₁₀H₁₅NO₄

SMILES

C1COCCC1N2CC(CC2=O)C(=O)O

InChI

InChI=1S/C10H15NO4/c12-9-5-7(10(13)14)6-11(9)8-1-3-15-4-2-8/h7-8H,1-6H2,(H,13,14)

InChIKey

ZUHJEZHRBQNNKR-UHFFFAOYSA-N

Compound name

1-(oxan-4-yl)-5-oxopyrrolidine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 213.10011 Da
Monoisotopic Mass: -0.6
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	146.3
[M+Na]+	236.089328	150.9
[M-H]-	212.092834	150.1
[M+NH4]+	231.133933	162.8
[M+K]+	252.063268	150.5
[M+H-H2O]+	196.097370	139.8
[M+HCOO]-	258.098311	162.0
[M+CH3COO]-	272.113961	181.7
[M+Na-2H]-	234.074776	146.9
[M]+	213.09956142	141.4
[M]-	213.10065858	141.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe