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]+ 189.077086 140.0
[M+Na]+ 211.059028 149.4
[M-H]- 187.062534 140.2
[M+NH4]+ 206.103633 153.3
[M+K]+ 227.032968 145.2
[M+H-H2O]+ 171.067070 130.4
[M+HCOO]- 233.068011 159.3
[M+CH3COO]- 247.083661 151.8
[M+Na-2H]- 209.044476 149.7
[M]+ 188.06926142 139.2
[M]- 188.07035858 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.