CID 28164823

1989638-16-5

Structural Information

Molecular Formula

C₉H₁₈N₂O

SMILES

CC(C)NC(=O)[C@@H]1CCCNC1

InChI

InChI=1S/C9H18N2O/c1-7(2)11-9(12)8-4-3-5-10-6-8/h7-8,10H,3-6H2,1-2H3,(H,11,12)/t8-/m1/s1

InChIKey

MQGOGOIJRYXDQI-MRVPVSSYSA-N

Compound name

(3R)-N-propan-2-ylpiperidine-3-carboxamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 170.1419 Da
Monoisotopic Mass: -0.1
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]+	171.14918	141.5
[M+Na]+	193.13112	144.3
[M-H]-	169.13462	141.1
[M+NH4]+	188.17572	159.1
[M+K]+	209.10506	142.9
[M+H-H2O]+	153.13916	134.8
[M+HCOO]-	215.14010	158.3
[M+CH3COO]-	229.15575	179.5
[M+Na-2H]-	191.11657	143.9
[M]+	170.14135	134.3
[M]-	170.14245	134.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe