CID 51038800

Schembl1310510

Structural Information

Molecular Formula

C₁₄H₂₈N₂O₃

SMILES

CN(C)CCNC(=O)CCCCCCCCC(=O)O

InChI

InChI=1S/C14H28N2O3/c1-16(2)12-11-15-13(17)9-7-5-3-4-6-8-10-14(18)19/h3-12H2,1-2H3,(H,15,17)(H,18,19)

InChIKey

RGOJAAXJOLYDHR-UHFFFAOYSA-N

Compound name

10-[2-(dimethylamino)ethylamino]-10-oxodecanoic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 272.21 Da
Monoisotopic Mass: -0.4
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]+	273.217276	171.0
[M+Na]+	295.199218	172.9
[M-H]-	271.202724	169.8
[M+NH4]+	290.243823	186.4
[M+K]+	311.173158	172.3
[M+H-H2O]+	255.207260	163.8
[M+HCOO]-	317.208201	192.2
[M+CH3COO]-	331.223851	207.2
[M+Na-2H]-	293.184666	170.4
[M]+	272.20945142	174.4
[M]-	272.21054858	174.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe