CID 96116

2644-26-0

Structural Information

Molecular Formula

C₁₄H₂₉NO₂

SMILES

CCCCCN(CCCCC)CC(=O)OCC

InChI

InChI=1S/C14H29NO2/c1-4-7-9-11-15(12-10-8-5-2)13-14(16)17-6-3/h4-13H2,1-3H3

InChIKey

JFBWZQGMDBYSIH-UHFFFAOYSA-N

Compound name

ethyl 2-(dipentylamino)acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 243.21983 Da
Monoisotopic Mass: 4.1
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]+	244.22711	165.2
[M+Na]+	266.20905	168.6
[M-H]-	242.21255	165.6
[M+NH4]+	261.25365	183.3
[M+K]+	282.18299	168.4
[M+H-H2O]+	226.21709	158.6
[M+HCOO]-	288.21803	187.6
[M+CH3COO]-	302.23368	202.8
[M+Na-2H]-	264.19450	166.2
[M]+	243.21928	171.5
[M]-	243.22038	171.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe