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

6
Patents

138.07932 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.08660 127.6
[M+Na]+ 161.06854 135.5
[M-H]- 137.07204 127.0
[M+NH4]+ 156.11314 145.9
[M+K]+ 177.04248 133.4
[M+H-H2O]+ 121.07658 120.6
[M+HCOO]- 183.07752 148.9
[M+CH3COO]- 197.09317 170.0
[M+Na-2H]- 159.05399 136.5
[M]+ 138.07877 127.3
[M]- 138.07987 127.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe