CID 25248177

959237-50-4

Structural Information

Molecular Formula
C7H8N4O
SMILES
C1=C(C=NC2=NC=NN21)CCO
InChI
InChI=1S/C7H8N4O/c12-2-1-6-3-8-7-9-5-10-11(7)4-6/h3-5,12H,1-2H2
InChIKey
QQRXAPDUQYJTJO-UHFFFAOYSA-N
Compound name
2-([1,2,4]triazolo[1,5-a]pyrimidin-6-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

164.06981 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.07709 131.7
[M+Na]+ 187.05903 143.0
[M-H]- 163.06253 130.3
[M+NH4]+ 182.10363 149.4
[M+K]+ 203.03297 139.7
[M+H-H2O]+ 147.06707 123.5
[M+HCOO]- 209.06801 152.4
[M+CH3COO]- 223.08366 144.9
[M+Na-2H]- 185.04448 141.1
[M]+ 164.06926 133.9
[M]- 164.07036 133.9
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