CID 8498

121-93-7

Structural Information

Molecular Formula

C₇H₁₇NO₂

SMILES

CC(C)N(CCO)CCO

InChI

InChI=1S/C7H17NO2/c1-7(2)8(3-5-9)4-6-10/h7,9-10H,3-6H2,1-2H3

InChIKey

HHRGNKUNRVABBN-UHFFFAOYSA-N

Compound name

2-[2-hydroxyethyl(propan-2-yl)amino]ethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1657
Patents: 147.12593 Da
Monoisotopic Mass: -0.3
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]+	148.13321	135.4
[M+Na]+	170.11515	140.4
[M-H]-	146.11865	134.1
[M+NH4]+	165.15975	155.8
[M+K]+	186.08909	140.8
[M+H-H2O]+	130.12319	130.4
[M+HCOO]-	192.12413	156.8
[M+CH3COO]-	206.13978	178.0
[M+Na-2H]-	168.10060	138.9
[M]+	147.12538	135.8
[M]-	147.12648	135.9

Literature stripe

literature stripe

Patent stripe

patents stripe