CID 50987841

1251924-66-9

Structural Information

Molecular Formula
C7H9N5O
SMILES
CCC1=CC(=O)N2C(=N1)N=C(N2)N
InChI
InChI=1S/C7H9N5O/c1-2-4-3-5(13)12-7(9-4)10-6(8)11-12/h3H,2H2,1H3,(H3,8,9,10,11)
InChIKey
TTZGWBGIWYZODB-UHFFFAOYSA-N
Compound name
2-amino-5-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

179.0807 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.08798 136.4
[M+Na]+ 202.06992 149.0
[M-H]- 178.07342 135.4
[M+NH4]+ 197.11452 153.5
[M+K]+ 218.04386 144.6
[M+H-H2O]+ 162.07796 128.6
[M+HCOO]- 224.07890 157.7
[M+CH3COO]- 238.09455 149.5
[M+Na-2H]- 200.05537 143.8
[M]+ 179.08015 137.1
[M]- 179.08125 137.1
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