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: 16
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	146.9
[M+Na]+	220.09442	154.9
[M-H]-	196.09792	152.7
[M+NH4]+	215.13902	160.1
[M+K]+	236.06836	152.7
[M+H-H2O]+	180.10246	139.8
[M+HCOO]-	242.10340	165.9
[M+CH3COO]-	256.11905	186.7
[M+Na-2H]-	218.07987	149.2
[M]+	197.10465	147.6
[M]-	197.10575	147.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe