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

0
Patents

152.09496 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.102236 131.8
[M+Na]+ 175.084178 141.0
[M-H]- 151.087684 132.1
[M+NH4]+ 170.128783 150.3
[M+K]+ 191.058118 139.2
[M+H-H2O]+ 135.092220 125.4
[M+HCOO]- 197.093161 151.9
[M+CH3COO]- 211.108811 176.2
[M+Na-2H]- 173.069626 137.6
[M]+ 152.09441142 132.2
[M]- 152.09550858 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