CID 165984343

2763780-41-0

Structural Information

Molecular Formula

C₁₂H₁₉NO₅

SMILES

CC(C)(C)OC(=O)N1CC2CC(C1)OC2C(=O)O

InChI

InChI=1S/C12H19NO5/c1-12(2,3)18-11(16)13-5-7-4-8(6-13)17-9(7)10(14)15/h7-9H,4-6H2,1-3H3,(H,14,15)

InChIKey

LUXMGOLMSCBEDO-UHFFFAOYSA-N

Compound name

3-[(2-methylpropan-2-yl)oxycarbonyl]-6-oxa-3-azabicyclo[3.2.1]octane-7-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 257.1263 Da
Monoisotopic Mass: 0.8
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	158.0
[M+Na]+	280.115518	163.4
[M-H]-	256.119024	158.4
[M+NH4]+	275.160123	175.1
[M+K]+	296.089458	163.9
[M+H-H2O]+	240.123560	153.5
[M+HCOO]-	302.124501	170.2
[M+CH3COO]-	316.140151	191.9
[M+Na-2H]-	278.100966	160.6
[M]+	257.12575142	158.8
[M]-	257.12684858	158.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.