CID 23548219

Tert-butyl 6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate

Structural Information

Molecular Formula
C12H22N2O3
SMILES
CC(C)(C)OC(=O)N1CCOC2(C1)CCNC2
InChI
InChI=1S/C12H22N2O3/c1-11(2,3)17-10(15)14-6-7-16-12(9-14)4-5-13-8-12/h13H,4-9H2,1-3H3
InChIKey
VESCRSHLXRKQFF-UHFFFAOYSA-N
Compound name
tert-butyl 6-oxa-2,9-diazaspiro[4.5]decane-9-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

47
Patents

242.16304 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.17032 158.4
[M+Na]+ 265.15226 162.4
[M-H]- 241.15576 159.5
[M+NH4]+ 260.19686 175.0
[M+K]+ 281.12620 162.2
[M+H-H2O]+ 225.16030 152.0
[M+HCOO]- 287.16124 170.2
[M+CH3COO]- 301.17689 185.0
[M+Na-2H]- 263.13771 161.8
[M]+ 242.16249 153.5
[M]- 242.16359 153.5
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

patents stripe