CID 3032554

10377-95-4

Structural Information

Molecular Formula

C₁₃H₁₉NO₅

SMILES

C1=CC=C(C(=C1)C(=O)OCCN(CCO)CCO)O

InChI

InChI=1S/C13H19NO5/c15-8-5-14(6-9-16)7-10-19-13(18)11-3-1-2-4-12(11)17/h1-4,15-17H,5-10H2

InChIKey

NAFDCRMGWKHMJQ-UHFFFAOYSA-N

Compound name

2-[bis(2-hydroxyethyl)amino]ethyl 2-hydroxybenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 53
Patents: 269.1263 Da
Monoisotopic Mass: 1.3
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]+	270.13358	161.8
[M+Na]+	292.11552	169.8
[M+NH4]+	287.16012	166.6
[M+K]+	308.08946	166.2
[M-H]-	268.11902	160.9
[M+Na-2H]-	290.10097	164.5
[M]+	269.12575	162.1
[M]-	269.12685	162.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe