CID 121229309

1250999-70-2

Structural Information

Molecular Formula
C17H22N2O3
SMILES
CC(C)(C)OC(=O)N1CC2(C1)CC(NC2=O)C3=CC=CC=C3
InChI
InChI=1S/C17H22N2O3/c1-16(2,3)22-15(21)19-10-17(11-19)9-13(18-14(17)20)12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,18,20)
InChIKey
VDOMSATVJOYSNP-UHFFFAOYSA-N
Compound name
tert-butyl 5-oxo-7-phenyl-2,6-diazaspiro[3.4]octane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.16306 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.17034 172.1
[M+Na]+ 325.15228 176.9
[M-H]- 301.15578 176.6
[M+NH4]+ 320.19688 181.4
[M+K]+ 341.12622 176.5
[M+H-H2O]+ 285.16032 160.2
[M+HCOO]- 347.16126 185.9
[M+CH3COO]- 361.17691 201.4
[M+Na-2H]- 323.13773 173.2
[M]+ 302.16251 178.4
[M]- 302.16361 178.4
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.