CID 18343529

5-methyl-1,4,5,6-tetrahydropyrrolo[3,4-c]pyrazole

Structural Information

Molecular Formula
C6H9N3
SMILES
CN1CC2=C(C1)NN=C2
InChI
InChI=1S/C6H9N3/c1-9-3-5-2-7-8-6(5)4-9/h2H,3-4H2,1H3,(H,7,8)
InChIKey
YKOOTMZPXIYQED-UHFFFAOYSA-N
Compound name
5-methyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

123.07965 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.08693 124.6
[M+Na]+ 146.06887 134.2
[M-H]- 122.07237 124.2
[M+NH4]+ 141.11347 147.0
[M+K]+ 162.04281 132.1
[M+H-H2O]+ 106.07691 117.7
[M+HCOO]- 168.07785 144.8
[M+CH3COO]- 182.09350 138.2
[M+Na-2H]- 144.05432 129.8
[M]+ 123.07910 122.5
[M]- 123.08020 122.5
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