CID 20444199

142780-03-8

Structural Information

Molecular Formula

C₇H₁₀N₂O

SMILES

CC1=CN=C(C=N1)CCO

InChI

InChI=1S/C7H10N2O/c1-6-4-9-7(2-3-10)5-8-6/h4-5,10H,2-3H2,1H3

InChIKey

NNXNGTCNZDIBHQ-UHFFFAOYSA-N

Compound name

2-(5-methylpyrazin-2-yl)ethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 138.07932 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]+	139.08660	127.5
[M+Na]+	161.06854	136.4
[M-H]-	137.07204	127.3
[M+NH4]+	156.11314	146.2
[M+K]+	177.04248	134.3
[M+H-H2O]+	121.07658	120.8
[M+HCOO]-	183.07752	148.8
[M+CH3COO]-	197.09317	171.1
[M+Na-2H]-	159.05399	135.7
[M]+	138.07877	127.6
[M]-	138.07987	127.6

Literature stripe

literature stripe

Patent stripe

patents stripe