CID 72214769

2387599-50-8

Structural Information

Molecular Formula
C7H7BrN2
SMILES
C1C2=C(CN1)C(=NC=C2)Br
InChI
InChI=1S/C7H7BrN2/c8-7-6-4-9-3-5(6)1-2-10-7/h1-2,9H,3-4H2
InChIKey
ALBFMVKTTFUSDR-UHFFFAOYSA-N
Compound name
4-bromo-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.97926 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.98654 138.1
[M+Na]+ 220.96848 141.2
[M+NH4]+ 216.01308 143.5
[M+K]+ 236.94242 142.1
[M-H]- 196.97198 137.8
[M+Na-2H]- 218.95393 140.6
[M]+ 197.97871 137.2
[M]- 197.97981 137.2
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.