CID 57227352

220598-45-8

Structural Information

Molecular Formula

C₁₁H₁₇NO₄

SMILES

CC(C)(C)OC(=O)N1CC2(CC1C2)C(=O)O

InChI

InChI=1S/C11H17NO4/c1-10(2,3)16-9(15)12-6-11(8(13)14)4-7(12)5-11/h7H,4-6H2,1-3H3,(H,13,14)

InChIKey

YAUYMBIICLFXOX-UHFFFAOYSA-N

Compound name

2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[2.1.1]hexane-4-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 63
Patents: 227.11575 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]+	228.123026	164.5
[M+Na]+	250.104968	169.2
[M-H]-	226.108474	163.0
[M+NH4]+	245.149573	183.1
[M+K]+	266.078908	171.5
[M+H-H2O]+	210.113010	158.3
[M+HCOO]-	272.113951	176.6
[M+CH3COO]-	286.129601	191.1
[M+Na-2H]-	248.090416	168.8
[M]+	227.11520142	178.5
[M]-	227.11629858	178.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe