CID 137942590

2649023-48-1

Structural Information

Molecular Formula

C₁₂H₁₈N₂O₅

SMILES

CC(C)(C)OC(=O)N1CC(C1)C2=NOC(C2)C(=O)O

InChI

InChI=1S/C12H18N2O5/c1-12(2,3)18-11(17)14-5-7(6-14)8-4-9(10(15)16)19-13-8/h7,9H,4-6H2,1-3H3,(H,15,16)

InChIKey

FHZKKLAXJJNAET-UHFFFAOYSA-N

Compound name

3-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]-4,5-dihydro-1,2-oxazole-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 270.12158 Da
Monoisotopic Mass: 0.4
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]+	271.128856	158.6
[M+Na]+	293.110798	162.6
[M-H]-	269.114304	161.7
[M+NH4]+	288.155403	165.5
[M+K]+	309.084738	166.5
[M+H-H2O]+	253.118840	146.8
[M+HCOO]-	315.119781	172.4
[M+CH3COO]-	329.135431	196.0
[M+Na-2H]-	291.096246	159.1
[M]+	270.12103142	168.6
[M]-	270.12212858	168.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.