CID 103892

51527-96-9

Structural Information

Molecular Formula

C₁₁H₁₇NO₃

SMILES

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

InChI

InChI=1S/C11H17NO3/c13-7-5-12(6-8-14)9-10-3-1-2-4-11(10)15/h1-4,13-15H,5-9H2

InChIKey

HELHBQQQHPNNME-UHFFFAOYSA-N

Compound name

2-[[bis(2-hydroxyethyl)amino]methyl]phenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 211.12085 Da
Monoisotopic Mass: -0.5
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]+	212.12813	147.6
[M+Na]+	234.11007	157.4
[M+NH4]+	229.15467	154.4
[M+K]+	250.08401	152.4
[M-H]-	210.11357	148.4
[M+Na-2H]-	232.09552	152.3
[M]+	211.12030	148.9
[M]-	211.12140	148.9

Literature stripe

literature stripe

Patent stripe

patents stripe