CID 11356940

352226-72-3

Structural Information

Molecular Formula

C₁₁H₁₇NO₅

SMILES

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

InChI

InChI=1S/C11H17NO5/c1-11(2,3)17-10(16)12-7-4-6(9(14)15)5-8(7)13/h5,7-8,13H,4H2,1-3H3,(H,12,16)(H,14,15)/t7-,8+/m1/s1

InChIKey

VGLAXEIGOPKPIR-SFYZADRCSA-N

Compound name

(3S,4R)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentene-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 243.11067 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]+	244.117946	153.8
[M+Na]+	266.099888	159.4
[M-H]-	242.103394	154.9
[M+NH4]+	261.144493	171.5
[M+K]+	282.073828	158.7
[M+H-H2O]+	226.107930	149.0
[M+HCOO]-	288.108871	172.8
[M+CH3COO]-	302.124521	188.9
[M+Na-2H]-	264.085336	154.7
[M]+	243.11012142	153.6
[M]-	243.11121858	153.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.