CID 4179874

75810-48-9

Structural Information

Molecular Formula

C₁₃H₁₃NO₅

SMILES

CN1C(C(CC1=O)C(=O)O)C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C13H13NO5/c1-14-11(15)5-8(13(16)17)12(14)7-2-3-9-10(4-7)19-6-18-9/h2-4,8,12H,5-6H2,1H3,(H,16,17)

InChIKey

VGQOMLZXAWLUNP-UHFFFAOYSA-N

Compound name

2-(1,3-benzodioxol-5-yl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 263.07938 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]+	264.086656	155.7
[M+Na]+	286.068598	164.0
[M-H]-	262.072104	162.6
[M+NH4]+	281.113203	172.2
[M+K]+	302.042538	163.6
[M+H-H2O]+	246.076640	150.7
[M+HCOO]-	308.077581	173.0
[M+CH3COO]-	322.093231	193.0
[M+Na-2H]-	284.054046	156.5
[M]+	263.07883142	157.3
[M]-	263.07992858	157.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe