CID 84762600

1459748-95-8

Structural Information

Molecular Formula
C6H8N2O2
SMILES
COC1=CN=C(N=C1)CO
InChI
InChI=1S/C6H8N2O2/c1-10-5-2-7-6(4-9)8-3-5/h2-3,9H,4H2,1H3
InChIKey
WCRPQDPGKHYFSH-UHFFFAOYSA-N
Compound name
(5-methoxypyrimidin-2-yl)methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

66
Patents

140.05858 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.06586 125.9
[M+Na]+ 163.04780 135.1
[M-H]- 139.05130 125.9
[M+NH4]+ 158.09240 144.4
[M+K]+ 179.02174 133.8
[M+H-H2O]+ 123.05584 119.2
[M+HCOO]- 185.05678 147.8
[M+CH3COO]- 199.07243 170.2
[M+Na-2H]- 161.03325 134.6
[M]+ 140.05803 127.1
[M]- 140.05913 127.1
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