CID 104349

2,2'-(heptylimino)bisethanol

Structural Information

Molecular Formula

C₁₁H₂₅NO₂

SMILES

CCCCCCCN(CCO)CCO

InChI

InChI=1S/C11H25NO2/c1-2-3-4-5-6-7-12(8-10-13)9-11-14/h13-14H,2-11H2,1H3

InChIKey

YRQDJBCEANHKAV-UHFFFAOYSA-N

Compound name

2-[heptyl(2-hydroxyethyl)amino]ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 134
Patents: 203.18852 Da
Monoisotopic Mass: 1.8
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]+	204.19580	153.0
[M+Na]+	226.17774	156.5
[M-H]-	202.18124	150.8
[M+NH4]+	221.22234	171.1
[M+K]+	242.15168	155.4
[M+H-H2O]+	186.18578	147.1
[M+HCOO]-	248.18672	174.1
[M+CH3COO]-	262.20237	189.2
[M+Na-2H]-	224.16319	155.7
[M]+	203.18797	155.6
[M]-	203.18907	155.6

Literature stripe

literature stripe

Patent stripe

patents stripe