CID 572756

72725-80-5

Structural Information

Molecular Formula

C₁₄H₁₆N₂O₂

SMILES

CC1=CN=C(C=N1)CC(C2=CC=C(C=C2)OC)O

InChI

InChI=1S/C14H16N2O2/c1-10-8-16-12(9-15-10)7-14(17)11-3-5-13(18-2)6-4-11/h3-6,8-9,14,17H,7H2,1-2H3

InChIKey

UKOAWZYHPWSZGT-UHFFFAOYSA-N

Compound name

1-(4-methoxyphenyl)-2-(5-methylpyrazin-2-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 244.12119 Da
Monoisotopic Mass: 1.3
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]+	245.128466	155.9
[M+Na]+	267.110408	163.6
[M-H]-	243.113914	158.7
[M+NH4]+	262.155013	169.9
[M+K]+	283.084348	160.0
[M+H-H2O]+	227.118450	147.1
[M+HCOO]-	289.119391	175.5
[M+CH3COO]-	303.135041	192.0
[M+Na-2H]-	265.095856	161.0
[M]+	244.12064142	157.1
[M]-	244.12173858	157.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe