CID 12127697

127926-24-3

Structural Information

Molecular Formula

C₁₁H₁₇NO₄

SMILES

CC(C)(C)OC(=O)N1CC2CC1(C2)C(=O)O

InChI

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

InChIKey

ZCFGFDBKCBPYHR-UHFFFAOYSA-N

Compound name

2-[(2-methylpropan-2-yl)oxycarbonyl]-2-azabicyclo[2.1.1]hexane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 66
Patents: 227.11575 Da
Monoisotopic Mass: 1.1
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]+	228.12303	149.8
[M+Na]+	250.10497	150.5
[M+NH4]+	245.14957	153.9
[M+K]+	266.07891	152.1
[M-H]-	226.10847	141.4
[M+Na-2H]-	248.09042	144.3
[M]+	227.11520	146.0
[M]-	227.11630	146.0

Literature stripe

literature stripe

Patent stripe

patents stripe