CID 116851

70715-17-2

Structural Information

Molecular Formula

C₁₁H₁₇NO₂

SMILES

CC1=NC(=CC=C1)CCCOCCO

InChI

InChI=1S/C11H17NO2/c1-10-4-2-5-11(12-10)6-3-8-14-9-7-13/h2,4-5,13H,3,6-9H2,1H3

InChIKey

OIUHSFKEXYXWSD-UHFFFAOYSA-N

Compound name

2-[3-(6-methylpyridin-2-yl)propoxy]ethanol

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 28
Patents: 195.12593 Da
Monoisotopic Mass: 1.1
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]+	196.13321	144.2
[M+Na]+	218.11515	151.2
[M-H]-	194.11865	144.7
[M+NH4]+	213.15975	161.8
[M+K]+	234.08909	148.8
[M+H-H2O]+	178.12319	137.3
[M+HCOO]-	240.12413	165.7
[M+CH3COO]-	254.13978	182.5
[M+Na-2H]-	216.10060	150.2
[M]+	195.12538	146.7
[M]-	195.12648	146.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe