CID 72214695

2173992-37-3

Structural Information

Molecular Formula
C7H7BrN2
SMILES
C1C2=CC(=NC=C2CN1)Br
InChI
InChI=1S/C7H7BrN2/c8-7-1-5-2-9-3-6(5)4-10-7/h1,4,9H,2-3H2
InChIKey
CLZSMCWXLMVHTB-UHFFFAOYSA-N
Compound name
6-bromo-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

197.97926 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.986536 134.3
[M+Na]+ 220.968478 146.8
[M-H]- 196.971984 137.9
[M+NH4]+ 216.013083 156.9
[M+K]+ 236.942418 135.5
[M+H-H2O]+ 180.976520 134.5
[M+HCOO]- 242.977461 152.7
[M+CH3COO]- 256.993111 149.4
[M+Na-2H]- 218.953926 142.9
[M]+ 197.97871142 150.1
[M]- 197.97980858 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

No patent data available for this compound.