CID 130800202

[2-(pyrimidin-5-yl)pyrimidin-5-yl]methanol

Structural Information

Molecular Formula
C9H8N4O
SMILES
C1=C(C=NC(=N1)C2=CN=CN=C2)CO
InChI
InChI=1S/C9H8N4O/c14-5-7-1-12-9(13-2-7)8-3-10-6-11-4-8/h1-4,6,14H,5H2
InChIKey
OVTZDMAOEMEUKD-UHFFFAOYSA-N
Compound name
(2-pyrimidin-5-ylpyrimidin-5-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

188.06981 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.07709 140.0
[M+Na]+ 211.05903 149.4
[M-H]- 187.06253 140.2
[M+NH4]+ 206.10363 153.3
[M+K]+ 227.03297 145.2
[M+H-H2O]+ 171.06707 130.4
[M+HCOO]- 233.06801 159.3
[M+CH3COO]- 247.08366 151.8
[M+Na-2H]- 209.04448 149.7
[M]+ 188.06926 139.2
[M]- 188.07036 139.2
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

No patent data available for this compound.