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]+ 151.072676 129.0
[M+Na]+ 173.054618 141.8
[M-H]- 149.058124 127.0
[M+NH4]+ 168.099223 145.9
[M+K]+ 189.028558 137.4
[M+H-H2O]+ 133.062660 120.7
[M+HCOO]- 195.063601 150.0
[M+CH3COO]- 209.079251 142.2
[M+Na-2H]- 171.040066 139.1
[M]+ 150.06485142 128.7
[M]- 150.06594858 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.