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

20
Patents

226.01056 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.017836 141.4
[M+Na]+ 248.999778 154.9
[M-H]- 225.003284 145.4
[M+NH4]+ 244.044383 165.3
[M+K]+ 264.973718 143.2
[M+H-H2O]+ 209.007820 142.1
[M+HCOO]- 271.008761 159.2
[M+CH3COO]- 285.024411 156.5
[M+Na-2H]- 246.985226 149.4
[M]+ 226.01001142 158.7
[M]- 226.01110858 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