CID 165522692

En300-1294358

Structural Information

Molecular Formula
C12H19NO4
SMILES
CC(C)(C)OC(=O)NC1CC(=O)C12CCOC2
InChI
InChI=1S/C12H19NO4/c1-11(2,3)17-10(15)13-8-6-9(14)12(8)4-5-16-7-12/h8H,4-7H2,1-3H3,(H,13,15)
InChIKey
AQIPZERDQVWBQG-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-oxo-7-oxaspiro[3.4]octan-1-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.13141 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.13869 151.0
[M+Na]+ 264.12063 154.8
[M-H]- 240.12413 156.9
[M+NH4]+ 259.16523 164.4
[M+K]+ 280.09457 158.4
[M+H-H2O]+ 224.12867 142.0
[M+HCOO]- 286.12961 169.1
[M+CH3COO]- 300.14526 194.0
[M+Na-2H]- 262.10608 155.5
[M]+ 241.13086 159.7
[M]- 241.13196 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.