CID 105469385

3-bromo-1,5-dimethyl-1h,4h,5h,6h-pyrrolo[3,4-c]pyrazole

Structural Information

Molecular Formula
C7H10BrN3
SMILES
CN1CC2=C(C1)N(N=C2Br)C
InChI
InChI=1S/C7H10BrN3/c1-10-3-5-6(4-10)11(2)9-7(5)8/h3-4H2,1-2H3
InChIKey
ZVHBHHDXWIFIEA-UHFFFAOYSA-N
Compound name
3-bromo-1,5-dimethyl-4,6-dihydropyrrolo[3,4-d]pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.00581 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.013086 140.3
[M+Na]+ 237.995028 155.0
[M-H]- 213.998534 144.8
[M+NH4]+ 233.039633 164.0
[M+K]+ 253.968968 145.1
[M+H-H2O]+ 198.003070 140.1
[M+HCOO]- 260.004011 159.7
[M+CH3COO]- 274.019661 156.1
[M+Na-2H]- 235.980476 145.3
[M]+ 215.00526142 159.7
[M]- 215.00635858 159.7
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

No patent data available for this compound.