CID 137951435

2168970-99-6

Structural Information

Molecular Formula

C₁₂H₁₉NO₅

SMILES

CC(C)(C)OC(=O)NCC12CC(C1)(CO2)C(=O)O

InChI

InChI=1S/C12H19NO5/c1-10(2,3)18-9(16)13-6-12-4-11(5-12,7-17-12)8(14)15/h4-7H2,1-3H3,(H,13,16)(H,14,15)

InChIKey

OVUMQCYVKNOGOI-UHFFFAOYSA-N

Compound name

1-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-oxabicyclo[2.1.1]hexane-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 257.1263 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]+	258.133576	169.8
[M+Na]+	280.115518	172.9
[M-H]-	256.119024	169.6
[M+NH4]+	275.160123	188.3
[M+K]+	296.089458	176.2
[M+H-H2O]+	240.123560	164.5
[M+HCOO]-	302.124501	182.6
[M+CH3COO]-	316.140151	196.9
[M+Na-2H]-	278.100966	177.2
[M]+	257.12575142	184.7
[M]-	257.12684858	184.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe