CID 44856

63867-22-1

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]+	200.164506	148.2
[M+Na]+	222.146448	152.6
[M-H]-	198.149954	149.2
[M+NH4]+	217.191053	166.0
[M+K]+	238.120388	151.7
[M+H-H2O]+	182.154490	141.3
[M+HCOO]-	244.155431	166.0
[M+CH3COO]-	258.171081	185.6
[M+Na-2H]-	220.131896	150.4
[M]+	199.15668142	146.9
[M]-	199.15777858	146.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe