CID 131517331

Ethyl 2-bromo-4h,5h,6h-pyrrolo[1,2-b]pyrazole-3-carboxylate

Structural Information

Molecular Formula
C9H11BrN2O2
SMILES
CCOC(=O)C1=C2CCCN2N=C1Br
InChI
InChI=1S/C9H11BrN2O2/c1-2-14-9(13)7-6-4-3-5-12(6)11-8(7)10/h2-5H2,1H3
InChIKey
JDXVEDXEDDKAAJ-UHFFFAOYSA-N
Compound name
ethyl 2-bromo-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.0004 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.00768 151.9
[M+Na]+ 280.98962 164.5
[M-H]- 256.99312 157.0
[M+NH4]+ 276.03422 174.6
[M+K]+ 296.96356 154.9
[M+H-H2O]+ 240.99766 151.7
[M+HCOO]- 302.99860 171.2
[M+CH3COO]- 317.01425 190.4
[M+Na-2H]- 278.97507 155.5
[M]+ 257.99985 172.3
[M]- 258.00095 172.3
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.