CID 666943

774560-69-9

Structural Information

Molecular Formula
C9H12N4O
SMILES
CCCC1=CC(=O)N2C(=N1)N=C(N2)C
InChI
InChI=1S/C9H12N4O/c1-3-4-7-5-8(14)13-9(11-7)10-6(2)12-13/h5H,3-4H2,1-2H3,(H,10,11,12)
InChIKey
VTTFXMKEDKMVDG-UHFFFAOYSA-N
Compound name
2-methyl-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

1
Patents

192.1011 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.10838 141.3
[M+Na]+ 215.09032 153.9
[M-H]- 191.09382 140.4
[M+NH4]+ 210.13492 158.5
[M+K]+ 231.06426 149.4
[M+H-H2O]+ 175.09836 133.4
[M+HCOO]- 237.09930 161.5
[M+CH3COO]- 251.11495 154.4
[M+Na-2H]- 213.07577 148.0
[M]+ 192.10055 144.3
[M]- 192.10165 144.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe