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]+ 210.098556 143.3
[M+Na]+ 232.080498 155.2
[M-H]- 208.084004 142.2
[M+NH4]+ 227.125103 159.1
[M+K]+ 248.054438 151.2
[M+H-H2O]+ 192.088540 135.2
[M+HCOO]- 254.089481 164.5
[M+CH3COO]- 268.105131 185.4
[M+Na-2H]- 230.065946 150.2
[M]+ 209.09073142 145.7
[M]- 209.09182858 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.