CID 71755517

Methyl 4-(decylamino)butanoate hydrochloride

Structural Information

Molecular Formula

C₁₅H₃₁NO₂

SMILES

CCCCCCCCCCNCCCC(=O)OC

InChI

InChI=1S/C15H31NO2/c1-3-4-5-6-7-8-9-10-13-16-14-11-12-15(17)18-2/h16H,3-14H2,1-2H3

InChIKey

CEUCCELHZGZNKR-UHFFFAOYSA-N

Compound name

methyl 4-(decylamino)butanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 257.23547 Da
Monoisotopic Mass: 4.5
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]+	258.24275	169.4
[M+Na]+	280.22469	172.0
[M-H]-	256.22819	168.0
[M+NH4]+	275.26929	186.1
[M+K]+	296.19863	170.2
[M+H-H2O]+	240.23273	162.6
[M+HCOO]-	302.23367	190.9
[M+CH3COO]-	316.24932	202.4
[M+Na-2H]-	278.21014	170.5
[M]+	257.23492	174.7
[M]-	257.23602	174.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe