CID 131395984

Tert-butyl n-{6-oxospiro[3.3]heptan-1-yl}carbamate

Structural Information

Molecular Formula

C₁₂H₁₉NO₃

SMILES

CC(C)(C)OC(=O)NC1CCC12CC(=O)C2

InChI

InChI=1S/C12H19NO3/c1-11(2,3)16-10(15)13-9-4-5-12(9)6-8(14)7-12/h9H,4-7H2,1-3H3,(H,13,15)

InChIKey

SICOGNDJJMZZND-UHFFFAOYSA-N

Compound name

tert-butyl N-(2-oxospiro[3.3]heptan-7-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 225.13649 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]+	226.143766	148.4
[M+Na]+	248.125708	151.1
[M-H]-	224.129214	153.4
[M+NH4]+	243.170313	155.1
[M+K]+	264.099648	156.2
[M+H-H2O]+	208.133750	134.8
[M+HCOO]-	270.134691	164.8
[M+CH3COO]-	284.150341	202.0
[M+Na-2H]-	246.111156	152.1
[M]+	225.13594142	164.3
[M]-	225.13703858	164.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.