CID 14686706

(2-methylpyrimidin-5-yl)methanol

Structural Information

Molecular Formula
C6H8N2O
SMILES
CC1=NC=C(C=N1)CO
InChI
InChI=1S/C6H8N2O/c1-5-7-2-6(4-9)3-8-5/h2-3,9H,4H2,1H3
InChIKey
HOBMGFDJYBEWLS-UHFFFAOYSA-N
Compound name
(2-methylpyrimidin-5-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

231
Patents

124.06366 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.07094 122.9
[M+Na]+ 147.05288 132.2
[M-H]- 123.05638 122.9
[M+NH4]+ 142.09748 142.1
[M+K]+ 163.02682 130.4
[M+H-H2O]+ 107.06092 116.4
[M+HCOO]- 169.06186 144.6
[M+CH3COO]- 183.07751 168.1
[M+Na-2H]- 145.03833 131.6
[M]+ 124.06311 122.7
[M]- 124.06421 122.7
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