CID 14728573

129287-91-8

Structural Information

Molecular Formula

C₁₂H₁₉NO₅

SMILES

CCOC(=O)C1(CC(=O)C1)NC(=O)OC(C)(C)C

InChI

InChI=1S/C12H19NO5/c1-5-17-9(15)12(6-8(14)7-12)13-10(16)18-11(2,3)4/h5-7H2,1-4H3,(H,13,16)

InChIKey

DFSYSSVVPOGHSO-UHFFFAOYSA-N

Compound name

ethyl 1-[(2-methylpropan-2-yl)oxycarbonylamino]-3-oxocyclobutane-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 257.1263 Da
Monoisotopic Mass: 0.5
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]+	258.133576	160.0
[M+Na]+	280.115518	163.9
[M-H]-	256.119024	163.2
[M+NH4]+	275.160123	172.0
[M+K]+	296.089458	167.7
[M+H-H2O]+	240.123560	150.3
[M+HCOO]-	302.124501	179.0
[M+CH3COO]-	316.140151	198.6
[M+Na-2H]-	278.100966	162.8
[M]+	257.12575142	171.9
[M]-	257.12684858	171.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe