CID 163321462

2640660-85-9

Structural Information

Molecular Formula
C16H25NO3
SMILES
CC(C)(C)OC(=O)N1CCC2(CC1)CC3(C2)CC(=O)C3
InChI
InChI=1S/C16H25NO3/c1-14(2,3)20-13(19)17-6-4-15(5-7-17)10-16(11-15)8-12(18)9-16/h4-11H2,1-3H3
InChIKey
GYCCTASMDPZMSC-UHFFFAOYSA-N
Compound name
tert-butyl 2-oxo-9-azadispiro[3.1.56.14]dodecane-9-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.18344 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.190716 160.7
[M+Na]+ 302.172658 163.3
[M-H]- 278.176164 165.7
[M+NH4]+ 297.217263 166.7
[M+K]+ 318.146598 167.3
[M+H-H2O]+ 262.180700 147.4
[M+HCOO]- 324.181641 171.7
[M+CH3COO]- 338.197291 207.8
[M+Na-2H]- 300.158106 163.8
[M]+ 279.18289142 174.2
[M]- 279.18398858 174.2
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.