CID 105525371

1784831-22-6

Structural Information

Molecular Formula
C10H14BrN3O2
SMILES
CC(C)(C)OC(=O)N1CC2=C(C1)NN=C2Br
InChI
InChI=1S/C10H14BrN3O2/c1-10(2,3)16-9(15)14-4-6-7(5-14)12-13-8(6)11/h4-5H2,1-3H3,(H,12,13)
InChIKey
KGQAIHPYYHKKMN-UHFFFAOYSA-N
Compound name
tert-butyl 3-bromo-4,6-dihydro-1H-pyrrolo[3,4-c]pyrazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.02695 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.03423 161.9
[M+Na]+ 310.01617 174.1
[M-H]- 286.01967 164.8
[M+NH4]+ 305.06077 181.9
[M+K]+ 325.99011 163.9
[M+H-H2O]+ 270.02421 161.9
[M+HCOO]- 332.02515 176.9
[M+CH3COO]- 346.04080 192.6
[M+Na-2H]- 308.00162 165.3
[M]+ 287.02640 180.8
[M]- 287.02750 180.8
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.