CID 18072004

Methyl 1-(3-oxobutanoyl)piperidine-4-carboxylate

Structural Information

Molecular Formula
C11H17NO4
SMILES
CC(=O)CC(=O)N1CCC(CC1)C(=O)OC
InChI
InChI=1S/C11H17NO4/c1-8(13)7-10(14)12-5-3-9(4-6-12)11(15)16-2/h9H,3-7H2,1-2H3
InChIKey
RNJIAZNZYCFTBZ-UHFFFAOYSA-N
Compound name
methyl 1-(3-oxobutanoyl)piperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

227.11575 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.12303 150.3
[M+Na]+ 250.10497 154.8
[M-H]- 226.10847 151.6
[M+NH4]+ 245.14957 166.7
[M+K]+ 266.07891 154.8
[M+H-H2O]+ 210.11301 143.7
[M+HCOO]- 272.11395 167.1
[M+CH3COO]- 286.12960 189.1
[M+Na-2H]- 248.09042 150.4
[M]+ 227.11520 149.3
[M]- 227.11630 149.3
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