CID 86664865

1260527-33-0

Structural Information

Molecular Formula

C₁₃H₂₁NO₃

SMILES

CC(C)(C)OC(=O)N1CCC2(CC2)CC1C=O

InChI

InChI=1S/C13H21NO3/c1-12(2,3)17-11(16)14-7-6-13(4-5-13)8-10(14)9-15/h9-10H,4-8H2,1-3H3

InChIKey

BABYBNKBVQWOOY-UHFFFAOYSA-N

Compound name

tert-butyl 7-formyl-6-azaspiro[2.5]octane-6-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 239.15215 Da
Monoisotopic Mass: 2.1
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]+	240.159426	161.4
[M+Na]+	262.141368	169.1
[M-H]-	238.144874	166.1
[M+NH4]+	257.185973	175.4
[M+K]+	278.115308	167.4
[M+H-H2O]+	222.149410	155.7
[M+HCOO]-	284.150351	177.4
[M+CH3COO]-	298.166001	193.1
[M+Na-2H]-	260.126816	165.3
[M]+	239.15160142	163.3
[M]-	239.15269858	163.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe