CID 11229587

3-bromo-1-methyl-7-azaindole

Structural Information

Molecular Formula
C8H7BrN2
SMILES
CN1C=C(C2=C1N=CC=C2)Br
InChI
InChI=1S/C8H7BrN2/c1-11-5-7(9)6-3-2-4-10-8(6)11/h2-5H,1H3
InChIKey
GBHFSEKDEABVOP-UHFFFAOYSA-N
Compound name
3-bromo-1-methylpyrrolo[2,3-b]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

209.97926 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.986536 134.0
[M+Na]+ 232.968478 149.4
[M-H]- 208.971984 139.8
[M+NH4]+ 228.013083 157.4
[M+K]+ 248.942418 138.4
[M+H-H2O]+ 192.976520 134.2
[M+HCOO]- 254.977461 156.2
[M+CH3COO]- 268.993111 150.8
[M+Na-2H]- 230.953926 143.9
[M]+ 209.97871142 155.0
[M]- 209.97980858 155.0
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