CID 118997509

1434141-78-2

Structural Information

Molecular Formula

C₁₂H₁₉NO₃

SMILES

CC(C)(C)OC(=O)N1CCCC12CC(=O)C2

InChI

InChI=1S/C12H19NO3/c1-11(2,3)16-10(15)13-6-4-5-12(13)7-9(14)8-12/h4-8H2,1-3H3

InChIKey

JQHIUJAHRNWYPJ-UHFFFAOYSA-N

Compound name

tert-butyl 2-oxo-5-azaspiro[3.4]octane-5-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 10
Patents: 225.13649 Da
Monoisotopic Mass: 0.9
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]+	226.14377	150.3
[M+Na]+	248.12571	155.5
[M-H]-	224.12921	154.5
[M+NH4]+	243.17031	165.0
[M+K]+	264.09965	157.6
[M+H-H2O]+	208.13375	141.1
[M+HCOO]-	270.13469	167.2
[M+CH3COO]-	284.15034	189.7
[M+Na-2H]-	246.11116	153.2
[M]+	225.13594	158.4
[M]-	225.13704	158.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe