CID 73994664

3-bromo-1-methyl-1h,6h,7h-pyrrolo[2,3-c]pyridin-7-one

Structural Information

Molecular Formula
C8H7BrN2O
SMILES
CN1C=C(C2=C1C(=O)NC=C2)Br
InChI
InChI=1S/C8H7BrN2O/c1-11-4-6(9)5-2-3-10-8(12)7(5)11/h2-4H,1H3,(H,10,12)
InChIKey
VRXXFZNSNISYTJ-UHFFFAOYSA-N
Compound name
3-bromo-1-methyl-6H-pyrrolo[2,3-c]pyridin-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

225.97418 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.98146 141.6
[M+Na]+ 248.96340 146.3
[M+NH4]+ 244.00800 146.2
[M+K]+ 264.93734 147.5
[M-H]- 224.96690 141.1
[M+Na-2H]- 246.94885 144.5
[M]+ 225.97363 140.9
[M]- 225.97473 140.9
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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No patent data available for this compound.