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]+ 165.077086 131.7
[M+Na]+ 187.059028 143.0
[M-H]- 163.062534 130.3
[M+NH4]+ 182.103633 149.4
[M+K]+ 203.032968 139.7
[M+H-H2O]+ 147.067070 123.5
[M+HCOO]- 209.068011 152.4
[M+CH3COO]- 223.083661 144.9
[M+Na-2H]- 185.044476 141.1
[M]+ 164.06926142 133.9
[M]- 164.07035858 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