CID 71306018

Tert-butyl 7-cyano-5-oxa-2-azaspiro[3.4]octane-2-carboxylate

Structural Information

Molecular Formula
C12H18N2O3
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CC(CO2)C#N
InChI
InChI=1S/C12H18N2O3/c1-11(2,3)17-10(15)14-7-12(8-14)4-9(5-13)6-16-12/h9H,4,6-8H2,1-3H3
InChIKey
BHFLELXWSBJKPH-UHFFFAOYSA-N
Compound name
tert-butyl 7-cyano-5-oxa-2-azaspiro[3.4]octane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.13174 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.13902 154.8
[M+Na]+ 261.12096 158.7
[M+NH4]+ 256.16556 155.6
[M+K]+ 277.09490 154.2
[M-H]- 237.12446 145.9
[M+Na-2H]- 259.10641 153.4
[M]+ 238.13119 150.9
[M]- 238.13229 150.9
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.