CID 44910

63869-95-4

Structural Information

Molecular Formula

C₉H₁₉NO₂

SMILES

CCN(CC)CCCC(=O)OC

InChI

InChI=1S/C9H19NO2/c1-4-10(5-2)8-6-7-9(11)12-3/h4-8H2,1-3H3

InChIKey

NVQFDHVCHIYMRM-UHFFFAOYSA-N

Compound name

methyl 4-(diethylamino)butanoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 173.14159 Da
Monoisotopic Mass: 1.2
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]+	174.148866	141.9
[M+Na]+	196.130808	147.4
[M-H]-	172.134314	143.3
[M+NH4]+	191.175413	162.8
[M+K]+	212.104748	148.5
[M+H-H2O]+	156.138850	136.3
[M+HCOO]-	218.139791	166.0
[M+CH3COO]-	232.155441	187.8
[M+Na-2H]-	194.116256	145.6
[M]+	173.14104142	146.3
[M]-	173.14213858	146.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe