CID 82651144

1-methyl-1h,4h,5h,6h-pyrrolo[3,4-c]pyrazol-3-amine dihydrochloride

Structural Information

Molecular Formula
C6H10N4
SMILES
CN1C2=C(CNC2)C(=N1)N
InChI
InChI=1S/C6H10N4/c1-10-5-3-8-2-4(5)6(7)9-10/h8H,2-3H2,1H3,(H2,7,9)
InChIKey
LHKWEZVACBSTHF-UHFFFAOYSA-N
Compound name
1-methyl-5,6-dihydro-4H-pyrrolo[3,4-c]pyrazol-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

138.09055 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.09783 128.1
[M+Na]+ 161.07977 137.6
[M-H]- 137.08327 127.6
[M+NH4]+ 156.12437 149.5
[M+K]+ 177.05371 135.1
[M+H-H2O]+ 121.08781 121.1
[M+HCOO]- 183.08875 148.6
[M+CH3COO]- 197.10440 141.3
[M+Na-2H]- 159.06522 132.2
[M]+ 138.09000 124.7
[M]- 138.09110 124.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe