CID 122163635

Tert-butyl n-{3-oxospiro[3.3]heptan-1-yl}carbamate

Structural Information

Molecular Formula
C12H19NO3
SMILES
CC(C)(C)OC(=O)NC1CC(=O)C12CCC2
InChI
InChI=1S/C12H19NO3/c1-11(2,3)16-10(15)13-8-7-9(14)12(8)5-4-6-12/h8H,4-7H2,1-3H3,(H,13,15)
InChIKey
WAWMGPASQBFAMC-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-oxospiro[3.3]heptan-1-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.13649 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.14377 162.9
[M+Na]+ 248.12571 161.8
[M+NH4]+ 243.17031 162.7
[M+K]+ 264.09965 159.9
[M-H]- 224.12921 158.0
[M+Na-2H]- 246.11116 161.3
[M]+ 225.13594 159.0
[M]- 225.13704 159.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.