CID 165878515

2383598-11-4

Structural Information

Molecular Formula
C8H8BrNO3
SMILES
CC1=CC(=C(N1C)C(=O)C(=O)O)Br
InChI
InChI=1S/C8H8BrNO3/c1-4-3-5(9)6(10(4)2)7(11)8(12)13/h3H,1-2H3,(H,12,13)
InChIKey
PZUKXAIMSUFBIT-UHFFFAOYSA-N
Compound name
2-(3-bromo-1,5-dimethylpyrrol-2-yl)-2-oxoacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.96877 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.97605 147.0
[M+Na]+ 267.95799 148.1
[M+NH4]+ 263.00259 149.7
[M+K]+ 283.93193 151.9
[M-H]- 243.96149 144.5
[M+Na-2H]- 265.94344 146.8
[M]+ 244.96822 144.9
[M]- 244.96932 144.9
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

No patent data available for this compound.