CID 137944453

2287345-29-1

Structural Information

Molecular Formula
C13H24N2O4
SMILES
CC(C)(C)OC(=O)N1CCOCC12CNCCOC2
InChI
InChI=1S/C13H24N2O4/c1-12(2,3)19-11(16)15-5-7-18-10-13(15)8-14-4-6-17-9-13/h14H,4-10H2,1-3H3
InChIKey
CAQVQUQGPJBWTI-UHFFFAOYSA-N
Compound name
tert-butyl 4,11-dioxa-1,8-diazaspiro[5.6]dodecane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.1736 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.18088 158.8
[M+Na]+ 295.16282 160.1
[M-H]- 271.16632 161.1
[M+NH4]+ 290.20742 169.8
[M+K]+ 311.13676 164.8
[M+H-H2O]+ 255.17086 150.6
[M+HCOO]- 317.17180 167.2
[M+CH3COO]- 331.18745 192.2
[M+Na-2H]- 293.14827 163.8
[M]+ 272.17305 151.3
[M]- 272.17415 151.3
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.