CID 10465749

675198-19-3

Structural Information

Molecular Formula

C₁₁H₁₇NO₃

SMILES

CC1=C(C=CN=C1CO)OCCCOC

InChI

InChI=1S/C11H17NO3/c1-9-10(8-13)12-5-4-11(9)15-7-3-6-14-2/h4-5,13H,3,6-8H2,1-2H3

InChIKey

OLBSXXZEMRBFIG-UHFFFAOYSA-N

Compound name

[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 46
Patents: 211.12085 Da
Monoisotopic Mass: 0.5
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]+	212.12813	147.1
[M+Na]+	234.11007	159.3
[M+NH4]+	229.15467	154.1
[M+K]+	250.08401	153.2
[M-H]-	210.11357	147.7
[M+Na-2H]-	232.09552	152.5
[M]+	211.12030	148.9
[M]-	211.12140	148.9

Literature stripe

literature stripe

Patent stripe

patents stripe