CID 101953727

Methyl 5-bromo-2-methyl-1h-indole-3-carboxylate

Structural Information

Molecular Formula
C11H10BrNO2
SMILES
CC1=C(C2=C(N1)C=CC(=C2)Br)C(=O)OC
InChI
InChI=1S/C11H10BrNO2/c1-6-10(11(14)15-2)8-5-7(12)3-4-9(8)13-6/h3-5,13H,1-2H3
InChIKey
IMOLADHPXONWFR-UHFFFAOYSA-N
Compound name
methyl 5-bromo-2-methyl-1H-indole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.9895 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.99678 152.0
[M+Na]+ 289.97872 155.7
[M+NH4]+ 285.02332 156.3
[M+K]+ 305.95266 157.2
[M-H]- 265.98222 151.5
[M+Na-2H]- 287.96417 153.9
[M]+ 266.98895 151.1
[M]- 266.99005 151.1
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.