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-d]pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

123.07965 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 124.086926 124.6
[M+Na]+ 146.068868 134.2
[M-H]- 122.072374 124.2
[M+NH4]+ 141.113473 147.0
[M+K]+ 162.042808 132.1
[M+H-H2O]+ 106.076910 117.7
[M+HCOO]- 168.077851 144.8
[M+CH3COO]- 182.093501 138.2
[M+Na-2H]- 144.054316 129.8
[M]+ 123.07910142 122.5
[M]- 123.08019858 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