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-c]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]+ 216.01309 140.3
[M+Na]+ 237.99503 155.0
[M-H]- 213.99853 144.8
[M+NH4]+ 233.03963 164.0
[M+K]+ 253.96897 145.1
[M+H-H2O]+ 198.00307 140.1
[M+HCOO]- 260.00401 159.7
[M+CH3COO]- 274.01966 156.1
[M+Na-2H]- 235.98048 145.3
[M]+ 215.00526 159.7
[M]- 215.00636 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.