CID 21581614

908095-31-8

Structural Information

Molecular Formula

C₁₀H₁₅NO₃

SMILES

COC(=O)C1CN(CCC1=O)C2CC2

InChI

InChI=1S/C10H15NO3/c1-14-10(13)8-6-11(7-2-3-7)5-4-9(8)12/h7-8H,2-6H2,1H3

InChIKey

IQUYUIVHPZAXHF-UHFFFAOYSA-N

Compound name

methyl 1-cyclopropyl-4-oxopiperidine-3-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 197.1052 Da
Monoisotopic Mass: 0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	198.11248	145.0
[M+Na]+	220.09442	156.6
[M+NH4]+	215.13902	152.8
[M+K]+	236.06836	153.2
[M-H]-	196.09792	153.2
[M+Na-2H]-	218.07987	151.7
[M]+	197.10465	149.8
[M]-	197.10575	149.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe