CID 72208216

Tert-butyl 7-oxo-2-azaspiro[4.4]nonane-2-carboxylate

Structural Information

Molecular Formula
C13H21NO3
SMILES
CC(C)(C)OC(=O)N1CCC2(C1)CCC(=O)C2
InChI
InChI=1S/C13H21NO3/c1-12(2,3)17-11(16)14-7-6-13(9-14)5-4-10(15)8-13/h4-9H2,1-3H3
InChIKey
KVDDOJNQXATXQE-UHFFFAOYSA-N
Compound name
tert-butyl 8-oxo-2-azaspiro[4.4]nonane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

88
Patents

239.15215 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.15943 158.2
[M+Na]+ 262.14137 164.2
[M-H]- 238.14487 162.2
[M+NH4]+ 257.18597 180.3
[M+K]+ 278.11531 163.1
[M+H-H2O]+ 222.14941 153.4
[M+HCOO]- 284.15035 175.7
[M+CH3COO]- 298.16600 187.9
[M+Na-2H]- 260.12682 159.0
[M]+ 239.15160 156.3
[M]- 239.15270 156.3
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