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 148.3
[M+Na]+ 237.99503 150.5
[M+NH4]+ 233.03963 152.9
[M+K]+ 253.96897 153.4
[M-H]- 213.99853 146.9
[M+Na-2H]- 235.98048 148.5
[M]+ 215.00526 146.8
[M]- 215.00636 146.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.