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]+ 180.087976 136.4
[M+Na]+ 202.069918 149.0
[M-H]- 178.073424 135.4
[M+NH4]+ 197.114523 153.5
[M+K]+ 218.043858 144.6
[M+H-H2O]+ 162.077960 128.6
[M+HCOO]- 224.078901 157.7
[M+CH3COO]- 238.094551 149.5
[M+Na-2H]- 200.055366 143.8
[M]+ 179.08015142 137.1
[M]- 179.08124858 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