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

53
Patents

134.05925 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.06653 123.5
[M+Na]+ 157.04847 135.9
[M-H]- 133.05197 123.6
[M+NH4]+ 152.09307 143.2
[M+K]+ 173.02241 133.2
[M+H-H2O]+ 117.05651 115.4
[M+HCOO]- 179.05745 145.9
[M+CH3COO]- 193.07310 138.0
[M+Na-2H]- 155.03392 133.9
[M]+ 134.05870 125.8
[M]- 134.05980 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