CID 834899

[1,2,4]triazolo[1,5-a]pyrimidin-7(1h)-one, 2-(hydroxymethyl)-5-methyl-

Structural Information

Molecular Formula
C7H8N4O2
SMILES
CC1=CC(=O)N2C(=N1)N=C(N2)CO
InChI
InChI=1S/C7H8N4O2/c1-4-2-6(13)11-7(8-4)9-5(3-12)10-11/h2,12H,3H2,1H3,(H,8,9,10)
InChIKey
WKWVHRXHNMBIAL-UHFFFAOYSA-N
Compound name
2-(hydroxymethyl)-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

180.06473 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.072006 135.8
[M+Na]+ 203.053948 148.7
[M-H]- 179.057454 133.9
[M+NH4]+ 198.098553 152.7
[M+K]+ 219.027888 144.4
[M+H-H2O]+ 163.061990 128.5
[M+HCOO]- 225.062931 155.4
[M+CH3COO]- 239.078581 148.9
[M+Na-2H]- 201.039396 143.2
[M]+ 180.06418142 137.7
[M]- 180.06527858 137.7
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