CID 132354096

2138038-56-7

Structural Information

Molecular Formula
C13H23NO4
SMILES
CC(C)(C)OC(=O)NC1CC(C12CCOCC2)O
InChI
InChI=1S/C13H23NO4/c1-12(2,3)18-11(16)14-9-8-10(15)13(9)4-6-17-7-5-13/h9-10,15H,4-8H2,1-3H3,(H,14,16)
InChIKey
HMHYBCRJLNPUMK-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-hydroxy-7-oxaspiro[3.5]nonan-1-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.16272 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.17000 157.9
[M+Na]+ 280.15194 160.0
[M-H]- 256.15544 161.8
[M+NH4]+ 275.19654 168.3
[M+K]+ 296.12588 163.8
[M+H-H2O]+ 240.15998 147.7
[M+HCOO]- 302.16092 172.0
[M+CH3COO]- 316.17657 195.9
[M+Na-2H]- 278.13739 162.4
[M]+ 257.16217 163.9
[M]- 257.16327 163.9
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.