CID 101955446

Tert-butyl 6-oxo-2-azaspiro[4.4]nonane-2-carboxylate

Structural Information

Molecular Formula
C13H21NO3
SMILES
CC(C)(C)OC(=O)N1CCC2(C1)CCCC2=O
InChI
InChI=1S/C13H21NO3/c1-12(2,3)17-11(16)14-8-7-13(9-14)6-4-5-10(13)15/h4-9H2,1-3H3
InChIKey
AFSMSLGKOLTQGI-UHFFFAOYSA-N
Compound name
tert-butyl 9-oxo-2-azaspiro[4.4]nonane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

239.15215 Da
Monoisotopic Mass

1.3
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

literature stripe

Patent stripe

patents stripe