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

15
Patents

180.06473 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.07201 135.8
[M+Na]+ 203.05395 148.7
[M-H]- 179.05745 133.9
[M+NH4]+ 198.09855 152.7
[M+K]+ 219.02789 144.4
[M+H-H2O]+ 163.06199 128.5
[M+HCOO]- 225.06293 155.4
[M+CH3COO]- 239.07858 148.9
[M+Na-2H]- 201.03940 143.2
[M]+ 180.06418 137.7
[M]- 180.06528 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