CID 86724005

1403901-07-4

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 141.4
[M+Na]+ 248.99978 154.9
[M-H]- 225.00328 145.4
[M+NH4]+ 244.04438 165.3
[M+K]+ 264.97372 143.2
[M+H-H2O]+ 209.00782 142.1
[M+HCOO]- 271.00876 159.2
[M+CH3COO]- 285.02441 156.5
[M+Na-2H]- 246.98523 149.4
[M]+ 226.01001 158.7
[M]- 226.01111 158.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe