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]+ 270.169996 160.0
[M+Na]+ 292.151938 162.4
[M-H]- 268.155444 165.1
[M+NH4]+ 287.196543 170.5
[M+K]+ 308.125878 166.1
[M+H-H2O]+ 252.159980 149.5
[M+HCOO]- 314.160921 175.4
[M+CH3COO]- 328.176571 200.3
[M+Na-2H]- 290.137386 164.5
[M]+ 269.16217142 167.4
[M]- 269.16326858 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.