CID 95655

N-methyldiisopropanolamine

Structural Information

Molecular Formula

C₇H₁₇NO₂

SMILES

CC(CN(C)CC(C)O)O

InChI

InChI=1S/C7H17NO2/c1-6(9)4-8(3)5-7(2)10/h6-7,9-10H,4-5H2,1-3H3

InChIKey

XKQMKMVTDKYWOX-UHFFFAOYSA-N

Compound name

1-[2-hydroxypropyl(methyl)amino]propan-2-ol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 3386
Patents: 147.12593 Da
Monoisotopic Mass: -0.2
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	134.1
[M+Na]+	170.11515	141.6
[M+NH4]+	165.15975	140.9
[M+K]+	186.08909	138.6
[M-H]-	146.11865	132.7
[M+Na-2H]-	168.10060	135.9
[M]+	147.12538	134.3
[M]-	147.12648	134.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe