CID 97712

6712-98-7

Structural Information

Molecular Formula

C₇H₁₇NO₃

SMILES

CC(CN(CCO)CCO)O

InChI

InChI=1S/C7H17NO3/c1-7(11)6-8(2-4-9)3-5-10/h7,9-11H,2-6H2,1H3

InChIKey

ZFECCYLNALETDE-UHFFFAOYSA-N

Compound name

1-[bis(2-hydroxyethyl)amino]propan-2-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 1
References: 1480
Patents: 163.12085 Da
Monoisotopic Mass: -1.4
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]+	164.12813	136.9
[M+Na]+	186.11007	143.7
[M+NH4]+	181.15467	142.8
[M+K]+	202.08401	140.8
[M-H]-	162.11357	134.6
[M+Na-2H]-	184.09552	138.0
[M]+	163.12030	136.6
[M]-	163.12140	136.6

Literature stripe

literature stripe

Patent stripe

patents stripe