CID 76836836

2269482-26-8

Structural Information

Molecular Formula
C7H9N5O2
SMILES
CC(=O)C1=C2NNN(C(=O)N2C=N1)C
InChI
InChI=1S/C7H9N5O2/c1-4(13)5-6-9-10-11(2)7(14)12(6)3-8-5/h3,9-10H,1-2H3
InChIKey
HYUDMOQAASVUJI-UHFFFAOYSA-N
Compound name
8-acetyl-3-methyl-1,2-dihydroimidazo[5,1-d][1,2,3,5]tetrazin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

195.07562 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.08290 144.9
[M+Na]+ 218.06484 154.7
[M-H]- 194.06834 140.6
[M+NH4]+ 213.10944 159.1
[M+K]+ 234.03878 150.8
[M+H-H2O]+ 178.07288 136.8
[M+HCOO]- 240.07382 157.9
[M+CH3COO]- 254.08947 179.7
[M+Na-2H]- 216.05029 147.7
[M]+ 195.07507 141.7
[M]- 195.07617 141.7
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.