CID 10630565

(2-methoxypyridin-3-yl)methanol

Structural Information

Molecular Formula

SMILES

COC1=C(C=CC=N1)CO

InChI

InChI=1S/C7H9NO2/c1-10-7-6(5-9)3-2-4-8-7/h2-4,9H,5H2,1H3

InChIKey

OFWONXXWLCHTSR-UHFFFAOYSA-N

Compound name

(2-methoxy-3-pyridinyl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 168
Patents: 139.06332 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]+	140.070596	125.6
[M+Na]+	162.052538	134.4
[M-H]-	138.056044	127.0
[M+NH4]+	157.097143	145.6
[M+K]+	178.026478	133.1
[M+H-H2O]+	122.060580	119.7
[M+HCOO]-	184.061521	148.6
[M+CH3COO]-	198.077171	170.4
[M+Na-2H]-	160.037986	133.9
[M]+	139.06277142	126.8
[M]-	139.06386858	126.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe