CID 108835

59776-88-4

Structural Information

Molecular Formula

C₇H₁₁NO₃

SMILES

COC(=O)CN1CCCC1=O

InChI

InChI=1S/C7H11NO3/c1-11-7(10)5-8-4-2-3-6(8)9/h2-5H2,1H3

InChIKey

HPDZYDTXCOFUOY-UHFFFAOYSA-N

Compound name

methyl 2-(2-oxopyrrolidin-1-yl)acetate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 222
Patents: 157.0739 Da
Monoisotopic Mass: -0.3
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]+	158.081176	131.8
[M+Na]+	180.063118	139.1
[M-H]-	156.066624	133.9
[M+NH4]+	175.107723	153.1
[M+K]+	196.037058	139.1
[M+H-H2O]+	140.071160	126.0
[M+HCOO]-	202.072101	153.6
[M+CH3COO]-	216.087751	174.3
[M+Na-2H]-	178.048566	134.9
[M]+	157.07335142	131.9
[M]-	157.07444858	131.9

Literature stripe

literature stripe

Patent stripe

patents stripe