CID 83678983

1531541-40-8

Structural Information

Molecular Formula
C8H9BrN2O
SMILES
CN1C2=C(C=C1Br)C(=O)NCC2
InChI
InChI=1S/C8H9BrN2O/c1-11-6-2-3-10-8(12)5(6)4-7(11)9/h4H,2-3H2,1H3,(H,10,12)
InChIKey
AACCXOOUHVEDIO-UHFFFAOYSA-N
Compound name
2-bromo-1-methyl-6,7-dihydro-5H-pyrrolo[3,2-c]pyridin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

227.98982 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.997096 142.3
[M+Na]+ 250.979038 155.1
[M-H]- 226.982544 146.0
[M+NH4]+ 246.023643 164.0
[M+K]+ 266.952978 143.6
[M+H-H2O]+ 210.987080 142.4
[M+HCOO]- 272.988021 159.1
[M+CH3COO]- 287.003671 184.2
[M+Na-2H]- 248.964486 147.9
[M]+ 227.98927142 158.4
[M]- 227.99036858 158.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe