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

40
Patents

242.16304 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.170316 158.4
[M+Na]+ 265.152258 162.4
[M-H]- 241.155764 159.5
[M+NH4]+ 260.196863 175.0
[M+K]+ 281.126198 162.2
[M+H-H2O]+ 225.160300 152.0
[M+HCOO]- 287.161241 170.2
[M+CH3COO]- 301.176891 185.0
[M+Na-2H]- 263.137706 161.8
[M]+ 242.16249142 153.5
[M]- 242.16358858 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