CID 351259

2-propenoic acid, 3-(2-oxo-1-pyrrolidinyl)-, methyl ester, (2e)-

Structural Information

Molecular Formula

C₈H₁₁NO₃

SMILES

COC(=O)C=CN1CCCC1=O

InChI

InChI=1S/C8H11NO3/c1-12-8(11)4-6-9-5-2-3-7(9)10/h4,6H,2-3,5H2,1H3

InChIKey

NRLWJEXUEIMMPF-UHFFFAOYSA-N

Compound name

methyl 3-(2-oxopyrrolidin-1-yl)prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 169.0739 Da
Monoisotopic Mass: -0.1
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]+	170.081176	135.4
[M+Na]+	192.063118	142.6
[M-H]-	168.066624	137.3
[M+NH4]+	187.107723	156.2
[M+K]+	208.037058	141.8
[M+H-H2O]+	152.071160	129.4
[M+HCOO]-	214.072101	157.0
[M+CH3COO]-	228.087751	175.8
[M+Na-2H]-	190.048566	137.9
[M]+	169.07335142	135.0
[M]-	169.07444858	135.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe