CID 200433

2083-04-7

Structural Information

Molecular Formula
C5H5N5O2
SMILES
CN1C2=NNN=C2C(=O)NC1=O
InChI
InChI=1S/C5H5N5O2/c1-10-3-2(7-9-8-3)4(11)6-5(10)12/h1H3,(H,6,11,12)(H,7,8,9)
InChIKey
OHMNVZBJUPIBGE-UHFFFAOYSA-N
Compound name
4-methyl-2H-triazolo[4,5-d]pyrimidine-5,7-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

167.04433 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.05161 132.0
[M+Na]+ 190.03355 146.1
[M-H]- 166.03705 129.1
[M+NH4]+ 185.07815 147.9
[M+K]+ 206.00749 141.3
[M+H-H2O]+ 150.04159 124.4
[M+HCOO]- 212.04253 150.9
[M+CH3COO]- 226.05818 145.1
[M+Na-2H]- 188.01900 140.1
[M]+ 167.04378 133.0
[M]- 167.04488 133.0
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