CID 71305755

1357351-94-0

Structural Information

Molecular Formula

C₁₂H₁₈N₂O₅

SMILES

CC(C)(C)OC(=O)N1CC2(C1)CC(=O)NC2C(=O)O

InChI

InChI=1S/C12H18N2O5/c1-11(2,3)19-10(18)14-5-12(6-14)4-7(15)13-8(12)9(16)17/h8H,4-6H2,1-3H3,(H,13,15)(H,16,17)

InChIKey

GACUCUWAYVAYIW-UHFFFAOYSA-N

Compound name

2-[(2-methylpropan-2-yl)oxycarbonyl]-7-oxo-2,6-diazaspiro[3.4]octane-5-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 270.12158 Da
Monoisotopic Mass: -0.3
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]+	271.128856	162.7
[M+Na]+	293.110798	166.9
[M-H]-	269.114304	162.8
[M+NH4]+	288.155403	172.4
[M+K]+	309.084738	168.6
[M+H-H2O]+	253.118840	152.9
[M+HCOO]-	315.119781	174.4
[M+CH3COO]-	329.135431	193.1
[M+Na-2H]-	291.096246	162.8
[M]+	270.12103142	169.3
[M]-	270.12212858	169.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.