CID 122163833

Tert-butyl 4,4-dimethyl-1-oxa-6-azaspiro[2.5]octane-6-carboxylate

Structural Information

Molecular Formula
C13H23NO3
SMILES
CC1(CN(CCC12CO2)C(=O)OC(C)(C)C)C
InChI
InChI=1S/C13H23NO3/c1-11(2,3)17-10(15)14-7-6-13(9-16-13)12(4,5)8-14/h6-9H2,1-5H3
InChIKey
NXYFKJCZVXPERN-UHFFFAOYSA-N
Compound name
tert-butyl 4,4-dimethyl-1-oxa-6-azaspiro[2.5]octane-6-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

241.1678 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.17508 160.6
[M+Na]+ 264.15702 168.9
[M-H]- 240.16052 166.4
[M+NH4]+ 259.20162 175.5
[M+K]+ 280.13096 170.2
[M+H-H2O]+ 224.16506 156.0
[M+HCOO]- 286.16600 175.2
[M+CH3COO]- 300.18165 193.7
[M+Na-2H]- 262.14247 166.8
[M]+ 241.16725 164.5
[M]- 241.16835 164.5
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