CID 7577838

Tert-butyl 2-oxopiperidine-1-carboxylate

Structural Information

Molecular Formula
C10H17NO3
SMILES
CC(C)(C)OC(=O)N1CCCCC1=O
InChI
InChI=1S/C10H17NO3/c1-10(2,3)14-9(13)11-7-5-4-6-8(11)12/h4-7H2,1-3H3
InChIKey
ULMHMJAEGZPQRY-UHFFFAOYSA-N
Compound name
tert-butyl 2-oxopiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2075
Patents

199.12085 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.12813 144.7
[M+Na]+ 222.11007 150.4
[M-H]- 198.11357 146.4
[M+NH4]+ 217.15467 162.8
[M+K]+ 238.08401 150.2
[M+H-H2O]+ 182.11811 138.9
[M+HCOO]- 244.11905 161.9
[M+CH3COO]- 258.13470 182.7
[M+Na-2H]- 220.09552 148.5
[M]+ 199.12030 143.2
[M]- 199.12140 143.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe