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

8
Patents

313.18893 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.196206 172.5
[M+Na]+ 336.178148 177.1
[M-H]- 312.181654 174.1
[M+NH4]+ 331.222753 186.3
[M+K]+ 352.152088 177.2
[M+H-H2O]+ 296.186190 166.8
[M+HCOO]- 358.187131 185.9
[M+CH3COO]- 372.202781 205.4
[M+Na-2H]- 334.163596 173.4
[M]+ 313.18838142 174.8
[M]- 313.18947858 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