CID 125454397

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

Structural Information

Molecular Formula
C8H11N5O2
SMILES
CCOCC1=CC(=O)N2C(=N1)N=C(N2)N
InChI
InChI=1S/C8H11N5O2/c1-2-15-4-5-3-6(14)13-8(10-5)11-7(9)12-13/h3H,2,4H2,1H3,(H3,9,10,11,12)
InChIKey
YXJRTGSGHXCSMT-UHFFFAOYSA-N
Compound name
2-amino-5-(ethoxymethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.09128 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.09856 143.3
[M+Na]+ 232.08050 155.2
[M-H]- 208.08400 142.2
[M+NH4]+ 227.12510 159.1
[M+K]+ 248.05444 151.2
[M+H-H2O]+ 192.08854 135.2
[M+HCOO]- 254.08948 164.5
[M+CH3COO]- 268.10513 185.4
[M+Na-2H]- 230.06595 150.2
[M]+ 209.09073 145.7
[M]- 209.09183 145.7
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

No patent data available for this compound.