CID 86724005

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

Structural Information

Molecular Formula
C9H11BrN2
SMILES
CC1(CNC2=CC(=NC=C21)Br)C
InChI
InChI=1S/C9H11BrN2/c1-9(2)5-12-7-3-8(10)11-4-6(7)9/h3-4,12H,5H2,1-2H3
InChIKey
QPLYFFUXOGTGFD-UHFFFAOYSA-N
Compound name
6-bromo-3,3-dimethyl-1,2-dihydropyrrolo[3,2-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

226.01056 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.01784 147.2
[M+Na]+ 248.99978 150.3
[M+NH4]+ 244.04438 153.6
[M+K]+ 264.97372 149.5
[M-H]- 225.00328 146.9
[M+Na-2H]- 246.98523 150.2
[M]+ 226.01001 146.5
[M]- 226.01111 146.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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