CID 118997478

1822561-92-1

Structural Information

Molecular Formula

C₁₁H₁₇NO₄

SMILES

CC(C)(C)OC(=O)N1CC2(C1C(=O)O)CC2

InChI

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

InChIKey

VEXHVXDUXUEPFT-UHFFFAOYSA-N

Compound name

5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.3]hexane-6-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
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]+	228.123026	155.6
[M+Na]+	250.104968	162.7
[M-H]-	226.108474	159.5
[M+NH4]+	245.149573	163.3
[M+K]+	266.078908	164.1
[M+H-H2O]+	210.113010	146.3
[M+HCOO]-	272.113951	170.8
[M+CH3COO]-	286.129601	192.3
[M+Na-2H]-	248.090416	158.8
[M]+	227.11520142	167.6
[M]-	227.11629858	167.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.