CID 7618

Triethanolamine

Structural Information

Molecular Formula

C₆H₁₅NO₃

SMILES

C(CO)N(CCO)CCO

InChI

InChI=1S/C6H15NO3/c8-4-1-7(2-5-9)3-6-10/h8-10H,1-6H2

InChIKey

GSEJCLTVZPLZKY-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

11
Annotation Hits: 899
References: 390730
Patents: 149.1052 Da
Monoisotopic Mass: -1.0
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]+	150.11248	133.3
[M+Na]+	172.09442	138.4
[M-H]-	148.09792	130.5
[M+NH4]+	167.13902	152.7
[M+K]+	188.06836	138.1
[M+H-H2O]+	132.10246	128.2
[M+HCOO]-	194.10340	154.7
[M+CH3COO]-	208.11905	173.6
[M+Na-2H]-	170.07987	138.1
[M]+	149.10465	133.5
[M]-	149.10575	133.5

Literature stripe

literature stripe

Patent stripe

patents stripe