CID 18343529

1419101-29-3

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

60
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 124.2
[M+Na]+ 146.06887 134.9
[M+NH4]+ 141.11347 132.6
[M+K]+ 162.04281 133.1
[M-H]- 122.07237 123.8
[M+Na-2H]- 144.05432 128.3
[M]+ 123.07910 125.3
[M]- 123.08020 125.3
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