CID 59421494

1-methyl-1h-pyrazolo[3,4-b]pyrazine

Structural Information

Molecular Formula
C6H6N4
SMILES
CN1C2=NC=CN=C2C=N1
InChI
InChI=1S/C6H6N4/c1-10-6-5(4-9-10)7-2-3-8-6/h2-4H,1H3
InChIKey
RRRIVLVAFKDWCH-UHFFFAOYSA-N
Compound name
1-methylpyrazolo[3,4-b]pyrazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

134.05925 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.066526 123.5
[M+Na]+ 157.048468 135.9
[M-H]- 133.051974 123.6
[M+NH4]+ 152.093073 143.2
[M+K]+ 173.022408 133.2
[M+H-H2O]+ 117.056510 115.4
[M+HCOO]- 179.057451 145.9
[M+CH3COO]- 193.073101 138.0
[M+Na-2H]- 155.033916 133.9
[M]+ 134.05870142 125.8
[M]- 134.05979858 125.8
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

patents stripe