CID 177801997

Tert-butyl n-{7-oxo-5-oxaspiro[3.4]octan-2-yl}carbamate

Structural Information

Molecular Formula
C12H19NO4
SMILES
CC(C)(C)OC(=O)NC1CC2(C1)CC(=O)CO2
InChI
InChI=1S/C12H19NO4/c1-11(2,3)17-10(15)13-8-4-12(5-8)6-9(14)7-16-12/h8H,4-7H2,1-3H3,(H,13,15)
InChIKey
JVCWJDXPIGPYJS-UHFFFAOYSA-N
Compound name
tert-butyl N-(7-oxo-5-oxaspiro[3.4]octan-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.13141 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.138686 151.0
[M+Na]+ 264.120628 154.8
[M-H]- 240.124134 156.9
[M+NH4]+ 259.165233 164.4
[M+K]+ 280.094568 158.4
[M+H-H2O]+ 224.128670 142.0
[M+HCOO]- 286.129611 169.1
[M+CH3COO]- 300.145261 194.0
[M+Na-2H]- 262.106076 155.5
[M]+ 241.13086142 159.7
[M]- 241.13195858 159.7
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.