CID 70700388

Benzyl 3-amino-4-oxopiperidine-1-carboxylate hydrochloride

Structural Information

Molecular Formula
C13H16N2O3
SMILES
C1CN(CC(C1=O)N)C(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C13H16N2O3/c14-11-8-15(7-6-12(11)16)13(17)18-9-10-4-2-1-3-5-10/h1-5,11H,6-9,14H2
InChIKey
BNWHVBUUAWUFGZ-UHFFFAOYSA-N
Compound name
benzyl 3-amino-4-oxopiperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

248.11609 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.12337 156.1
[M+Na]+ 271.10531 161.3
[M-H]- 247.10881 160.3
[M+NH4]+ 266.14991 171.0
[M+K]+ 287.07925 158.7
[M+H-H2O]+ 231.11335 147.8
[M+HCOO]- 293.11429 175.6
[M+CH3COO]- 307.12994 193.4
[M+Na-2H]- 269.09076 158.5
[M]+ 248.11554 152.2
[M]- 248.11664 152.2
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