CID 17932922

53342-30-6

Structural Information

Molecular Formula
C6H8N2O
SMILES
CC(C1=NC=CC=N1)O
InChI
InChI=1S/C6H8N2O/c1-5(9)6-7-3-2-4-8-6/h2-5,9H,1H3
InChIKey
YTMHZXYXPHNWMA-UHFFFAOYSA-N
Compound name
1-pyrimidin-2-ylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

107
Patents

124.06366 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 125.070936 123.3
[M+Na]+ 147.052878 131.4
[M-H]- 123.056384 123.0
[M+NH4]+ 142.097483 142.1
[M+K]+ 163.026818 130.0
[M+H-H2O]+ 107.060920 116.6
[M+HCOO]- 169.061861 144.0
[M+CH3COO]- 183.077511 167.8
[M+Na-2H]- 145.038326 131.6
[M]+ 124.06311142 122.1
[M]- 124.06420858 122.1
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