CID 108247

54533-29-8

Structural Information

Molecular Formula

C₁₀H₁₇NO

SMILES

CC=C(C)C(=O)N1CCCCC1

InChI

InChI=1S/C10H17NO/c1-3-9(2)10(12)11-7-5-4-6-8-11/h3H,4-8H2,1-2H3

InChIKey

AASUNBIGKXSKNF-UHFFFAOYSA-N

Compound name

2-methyl-1-piperidin-1-ylbut-2-en-1-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 3
Patents: 167.13101 Da
Monoisotopic Mass: 1.8
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]+	168.13829	139.9
[M+Na]+	190.12023	144.0
[M-H]-	166.12373	141.0
[M+NH4]+	185.16483	158.8
[M+K]+	206.09417	142.8
[M+H-H2O]+	150.12827	133.5
[M+HCOO]-	212.12921	157.1
[M+CH3COO]-	226.14486	178.7
[M+Na-2H]-	188.10568	142.2
[M]+	167.13046	135.0
[M]-	167.13156	135.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe