CID 64145864

1262406-85-8

Structural Information

Molecular Formula

C₁₃H₁₅NO₅

SMILES

C1COCC1(C(=O)O)NC(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C13H15NO5/c15-11(16)13(6-7-18-9-13)14-12(17)19-8-10-4-2-1-3-5-10/h1-5H,6-9H2,(H,14,17)(H,15,16)

InChIKey

HDPOINUGZWATFQ-UHFFFAOYSA-N

Compound name

3-(phenylmethoxycarbonylamino)oxolane-3-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 265.09503 Da
Monoisotopic Mass: 0.9
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]+	266.102306	158.4
[M+Na]+	288.084248	162.7
[M-H]-	264.087754	163.9
[M+NH4]+	283.128853	175.4
[M+K]+	304.058188	162.5
[M+H-H2O]+	248.092290	152.1
[M+HCOO]-	310.093231	179.0
[M+CH3COO]-	324.108881	190.9
[M+Na-2H]-	286.069696	162.5
[M]+	265.09448142	157.8
[M]-	265.09557858	157.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe