CID 15185549

3-(pyrimidin-4-yl)propan-1-ol

Structural Information

Molecular Formula

C₇H₁₀N₂O

SMILES

C1=CN=CN=C1CCCO

InChI

InChI=1S/C7H10N2O/c10-5-1-2-7-3-4-8-6-9-7/h3-4,6,10H,1-2,5H2

InChIKey

GCCDNYUPSADJJO-UHFFFAOYSA-N

Compound name

3-pyrimidin-4-ylpropan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 12
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]+	139.086596	127.6
[M+Na]+	161.068538	135.5
[M-H]-	137.072044	127.0
[M+NH4]+	156.113143	145.9
[M+K]+	177.042478	133.4
[M+H-H2O]+	121.076580	120.6
[M+HCOO]-	183.077521	148.9
[M+CH3COO]-	197.093171	170.0
[M+Na-2H]-	159.053986	136.5
[M]+	138.07877142	127.3
[M]-	138.07986858	127.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe