CID 65920624

2-(pyrazin-2-yl)propan-1-ol

Structural Information

Molecular Formula

C₇H₁₀N₂O

SMILES

CC(CO)C1=NC=CN=C1

InChI

InChI=1S/C7H10N2O/c1-6(5-10)7-4-8-2-3-9-7/h2-4,6,10H,5H2,1H3

InChIKey

FUSUKLLBZGNVGD-UHFFFAOYSA-N

Compound name

2-pyrazin-2-ylpropan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 138.07932 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]+	139.086596	127.9
[M+Na]+	161.068538	135.6
[M-H]-	137.072044	127.5
[M+NH4]+	156.113143	146.2
[M+K]+	177.042478	134.0
[M+H-H2O]+	121.076580	121.0
[M+HCOO]-	183.077521	148.3
[M+CH3COO]-	197.093171	170.9
[M+Na-2H]-	159.053986	135.6
[M]+	138.07877142	127.0
[M]-	138.07986858	127.0

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.