CID 165588800

2728567-21-1

Structural Information

Molecular Formula

C₁₁H₁₇NO₅

SMILES

CC(C)(C)OC(=O)N1C2CC1(COC2)C(=O)O

InChI

InChI=1S/C11H17NO5/c1-10(2,3)17-9(15)12-7-4-11(12,8(13)14)6-16-5-7/h7H,4-6H2,1-3H3,(H,13,14)

InChIKey

NZKIBHFDBKAKDO-UHFFFAOYSA-N

Compound name

6-[(2-methylpropan-2-yl)oxycarbonyl]-3-oxa-6-azabicyclo[3.1.1]heptane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 243.11067 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]+	244.117946	165.5
[M+Na]+	266.099888	168.9
[M-H]-	242.103394	162.1
[M+NH4]+	261.144493	179.1
[M+K]+	282.073828	173.5
[M+H-H2O]+	226.107930	157.0
[M+HCOO]-	288.108871	172.2
[M+CH3COO]-	302.124521	195.3
[M+Na-2H]-	264.085336	174.3
[M]+	243.11012142	179.2
[M]-	243.11121858	179.2

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.