CID 12575512

6-bromo-2,3-dihydro-1h-pyrrolo[3,2-c]pyridine

Structural Information

Molecular Formula
C7H7BrN2
SMILES
C1CNC2=CC(=NC=C21)Br
InChI
InChI=1S/C7H7BrN2/c8-7-3-6-5(4-10-7)1-2-9-6/h3-4,9H,1-2H2
InChIKey
QUGWYCFURLIXJB-UHFFFAOYSA-N
Compound name
6-bromo-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

197.97926 Da
Monoisotopic Mass

1.9
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.

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