CID 146049572

Tert-butyl n-({2-oxo-6-oxaspiro[3.5]nonan-7-yl}methyl)carbamate

Structural Information

Molecular Formula
C14H23NO4
SMILES
CC(C)(C)OC(=O)NCC1CCC2(CC(=O)C2)CO1
InChI
InChI=1S/C14H23NO4/c1-13(2,3)19-12(17)15-8-11-4-5-14(9-18-11)6-10(16)7-14/h11H,4-9H2,1-3H3,(H,15,17)
InChIKey
GJCOMYCUWJSBER-UHFFFAOYSA-N
Compound name
tert-butyl N-[(2-oxo-6-oxaspiro[3.5]nonan-7-yl)methyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.16272 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.17000 160.0
[M+Na]+ 292.15194 162.4
[M-H]- 268.15544 165.1
[M+NH4]+ 287.19654 170.5
[M+K]+ 308.12588 166.1
[M+H-H2O]+ 252.15998 149.5
[M+HCOO]- 314.16092 175.4
[M+CH3COO]- 328.17657 200.3
[M+Na-2H]- 290.13739 164.5
[M]+ 269.16217 167.4
[M]- 269.16327 167.4
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.