CID 45790084

Tert-butyl 2-methyl-3-oxopiperidine-1-carboxylate

Structural Information

Molecular Formula
C11H19NO3
SMILES
CC1C(=O)CCCN1C(=O)OC(C)(C)C
InChI
InChI=1S/C11H19NO3/c1-8-9(13)6-5-7-12(8)10(14)15-11(2,3)4/h8H,5-7H2,1-4H3
InChIKey
GZOHWMOHDHOZOR-UHFFFAOYSA-N
Compound name
tert-butyl 2-methyl-3-oxopiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

60
Patents

213.13649 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.14377 148.3
[M+Na]+ 236.12571 154.6
[M-H]- 212.12921 150.3
[M+NH4]+ 231.17031 166.2
[M+K]+ 252.09965 154.2
[M+H-H2O]+ 196.13375 142.7
[M+HCOO]- 258.13469 165.2
[M+CH3COO]- 272.15034 187.0
[M+Na-2H]- 234.11116 151.0
[M]+ 213.13594 147.7
[M]- 213.13704 147.7
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