CID 54772446

1-(2,4-dimethylpyrimidin-5-yl)ethan-1-ol

Structural Information

Molecular Formula
C8H12N2O
SMILES
CC1=NC(=NC=C1C(C)O)C
InChI
InChI=1S/C8H12N2O/c1-5-8(6(2)11)4-9-7(3)10-5/h4,6,11H,1-3H3
InChIKey
MUAMCVCEPUYULF-UHFFFAOYSA-N
Compound name
1-(2,4-dimethylpyrimidin-5-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

152.09496 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.10224 131.8
[M+Na]+ 175.08418 141.0
[M-H]- 151.08768 132.1
[M+NH4]+ 170.12878 150.3
[M+K]+ 191.05812 139.2
[M+H-H2O]+ 135.09222 125.4
[M+HCOO]- 197.09316 151.9
[M+CH3COO]- 211.10881 176.2
[M+Na-2H]- 173.06963 137.6
[M]+ 152.09441 132.2
[M]- 152.09551 132.2
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

patents stripe