CID 87398835

2-[(2-hydroxypropyl)methylamino]-1-propanol

Structural Information

Molecular Formula

C₇H₁₇NO₂

SMILES

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

InChI

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

InChIKey

BSMNFSOFRLILHX-UHFFFAOYSA-N

Compound name

1-[1-hydroxypropan-2-yl(methyl)amino]propan-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 37
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	135.8
[M+Na]+	170.11515	140.6
[M-H]-	146.11865	134.6
[M+NH4]+	165.15975	156.1
[M+K]+	186.08909	141.4
[M+H-H2O]+	130.12319	130.8
[M+HCOO]-	192.12413	156.2
[M+CH3COO]-	206.13978	179.0
[M+Na-2H]-	168.10060	138.0
[M]+	147.12538	135.5
[M]-	147.12648	135.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe