CID 49759529

Tert-butyl 3-(2-(tert-butoxy)-2-oxoethyl)-4-oxopiperidine-1-carboxylate

Structural Information

Molecular Formula
C16H27NO5
SMILES
CC(C)(C)OC(=O)CC1CN(CCC1=O)C(=O)OC(C)(C)C
InChI
InChI=1S/C16H27NO5/c1-15(2,3)21-13(19)9-11-10-17(8-7-12(11)18)14(20)22-16(4,5)6/h11H,7-10H2,1-6H3
InChIKey
ALIVCUSTZCGWKQ-UHFFFAOYSA-N
Compound name
tert-butyl 3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-4-oxopiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

313.18893 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.19621 172.5
[M+Na]+ 336.17815 177.1
[M-H]- 312.18165 174.1
[M+NH4]+ 331.22275 186.3
[M+K]+ 352.15209 177.2
[M+H-H2O]+ 296.18619 166.8
[M+HCOO]- 358.18713 185.9
[M+CH3COO]- 372.20278 205.4
[M+Na-2H]- 334.16360 173.4
[M]+ 313.18838 174.8
[M]- 313.18948 174.8
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

patents stripe