CID 135417420

77022-74-3

Structural Information

Molecular Formula
C5H6N6
SMILES
CN1C=NC(=N)C2=NNN=C21
InChI
InChI=1S/C5H6N6/c1-11-2-7-4(6)3-5(11)9-10-8-3/h2,6H,1H3,(H,8,9,10)
InChIKey
SPDVLCBGNKOYNT-UHFFFAOYSA-N
Compound name
4-methyl-2H-triazolo[4,5-d]pyrimidin-7-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

150.0654 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.07268 129.0
[M+Na]+ 173.05462 141.8
[M-H]- 149.05812 127.0
[M+NH4]+ 168.09922 145.9
[M+K]+ 189.02856 137.4
[M+H-H2O]+ 133.06266 120.7
[M+HCOO]- 195.06360 150.0
[M+CH3COO]- 209.07925 142.2
[M+Na-2H]- 171.04007 139.1
[M]+ 150.06485 128.7
[M]- 150.06595 128.7
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.