CID 44856

Methyl-gamma-(2-methylpiperidino)butyrate, hydrochloride

Structural Information

Molecular Formula

C₁₁H₂₁NO₂

SMILES

CC1CCCCN1CCCC(=O)OC

InChI

InChI=1S/C11H21NO2/c1-10-6-3-4-8-12(10)9-5-7-11(13)14-2/h10H,3-9H2,1-2H3

InChIKey

ZMIJRZZXFKLROL-UHFFFAOYSA-N

Compound name

methyl 4-(2-methylpiperidin-1-yl)butanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 199.15723 Da
Monoisotopic Mass: 1.7
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]+	200.16451	148.1
[M+Na]+	222.14645	157.8
[M+NH4]+	217.19105	155.5
[M+K]+	238.12039	152.0
[M-H]-	198.14995	148.6
[M+Na-2H]-	220.13190	151.5
[M]+	199.15668	149.3
[M]-	199.15778	149.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe