CID 57753562

1394117-24-8

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

140
Patents

197.97926 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.98654 134.3
[M+Na]+ 220.96848 146.8
[M-H]- 196.97198 137.9
[M+NH4]+ 216.01308 156.9
[M+K]+ 236.94242 135.5
[M+H-H2O]+ 180.97652 134.5
[M+HCOO]- 242.97746 152.7
[M+CH3COO]- 256.99311 149.4
[M+Na-2H]- 218.95393 142.9
[M]+ 197.97871 150.1
[M]- 197.97981 150.1
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

patents stripe