CID 121552544

6-tert-butyl 1-methyl 1-cyano-6-azaspiro[2.5]octane-1,6-dicarboxylate

Structural Information

Molecular Formula
C15H22N2O4
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CC2(C#N)C(=O)OC
InChI
InChI=1S/C15H22N2O4/c1-13(2,3)21-12(19)17-7-5-14(6-8-17)9-15(14,10-16)11(18)20-4/h5-9H2,1-4H3
InChIKey
YRLMOJUVTDKUER-UHFFFAOYSA-N
Compound name
6-O-tert-butyl 2-O-methyl 2-cyano-6-azaspiro[2.5]octane-2,6-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.15796 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.16524 170.2
[M+Na]+ 317.14718 184.0
[M-H]- 293.15068 176.4
[M+NH4]+ 312.19178 184.3
[M+K]+ 333.12112 178.7
[M+H-H2O]+ 277.15522 162.3
[M+HCOO]- 339.15616 183.8
[M+CH3COO]- 353.17181 211.7
[M+Na-2H]- 315.13263 175.2
[M]+ 294.15741 170.8
[M]- 294.15851 170.8
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.