CID 45158734

954236-44-3

Structural Information

Molecular Formula
C13H21NO4
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)CO2
InChI
InChI=1S/C13H21NO4/c1-12(2,3)18-11(16)14-6-4-13(5-7-14)8-10(15)9-17-13/h4-9H2,1-3H3
InChIKey
XDSCHYPLQWGQRC-UHFFFAOYSA-N
Compound name
tert-butyl 3-oxo-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

96
Patents

255.14706 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.15434 158.4
[M+Na]+ 278.13628 163.6
[M-H]- 254.13978 162.6
[M+NH4]+ 273.18088 176.8
[M+K]+ 294.11022 164.0
[M+H-H2O]+ 238.14432 153.1
[M+HCOO]- 300.14526 173.1
[M+CH3COO]- 314.16091 190.2
[M+Na-2H]- 276.12173 161.7
[M]+ 255.14651 156.5
[M]- 255.14761 156.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe