CID 14731950

135415-24-6

Structural Information

Molecular Formula

C₁₁H₁₈N₂O₅

SMILES

CC(C)(C)OC(=O)N[C@H]1CC(=O)N(C1)CC(=O)O

InChI

InChI=1S/C11H18N2O5/c1-11(2,3)18-10(17)12-7-4-8(14)13(5-7)6-9(15)16/h7H,4-6H2,1-3H3,(H,12,17)(H,15,16)/t7-/m0/s1

InChIKey

OSDJTBDQUFFDTG-ZETCQYMHSA-N

Compound name

2-[(4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 258.12158 Da
Monoisotopic Mass: -0.2
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]+	259.128856	157.5
[M+Na]+	281.110798	162.8
[M-H]-	257.114304	158.2
[M+NH4]+	276.155403	173.8
[M+K]+	297.084738	162.5
[M+H-H2O]+	241.118840	151.8
[M+HCOO]-	303.119781	175.5
[M+CH3COO]-	317.135431	193.5
[M+Na-2H]-	279.096246	158.1
[M]+	258.12103142	157.7
[M]-	258.12212858	157.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.