CID 66958790

6-bromo-3,3-dimethyl-1h,2h,3h-pyrrolo[3,2-b]pyridin-2-one

Structural Information

Molecular Formula
C9H9BrN2O
SMILES
CC1(C2=C(C=C(C=N2)Br)NC1=O)C
InChI
InChI=1S/C9H9BrN2O/c1-9(2)7-6(12-8(9)13)3-5(10)4-11-7/h3-4H,1-2H3,(H,12,13)
InChIKey
IHPGJUQVWJQAPS-UHFFFAOYSA-N
Compound name
6-bromo-3,3-dimethyl-1H-pyrrolo[3,2-b]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

84
Patents

239.98982 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.997096 142.1
[M+Na]+ 262.979038 156.5
[M-H]- 238.982544 146.5
[M+NH4]+ 258.023643 165.5
[M+K]+ 278.952978 144.8
[M+H-H2O]+ 222.987080 143.0
[M+HCOO]- 284.988021 160.2
[M+CH3COO]- 299.003671 186.2
[M+Na-2H]- 260.964486 149.6
[M]+ 239.98927142 160.5
[M]- 239.99036858 160.5
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