CID 8027184

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

Structural Information

Molecular Formula
C11H10BrNO2
SMILES
CN1C=C(C2=C1C=CC(=C2)Br)C(=O)OC
InChI
InChI=1S/C11H10BrNO2/c1-13-6-9(11(14)15-2)8-5-7(12)3-4-10(8)13/h3-6H,1-2H3
InChIKey
HYEVKYLKCUGBHK-UHFFFAOYSA-N
Compound name
methyl 5-bromo-1-methylindole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

266.9895 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.996776 149.7
[M+Na]+ 289.978718 164.2
[M-H]- 265.982224 156.8
[M+NH4]+ 285.023323 172.2
[M+K]+ 305.952658 153.5
[M+H-H2O]+ 249.986760 149.9
[M+HCOO]- 311.987701 171.6
[M+CH3COO]- 326.003351 193.7
[M+Na-2H]- 287.964166 156.1
[M]+ 266.98895142 172.8
[M]- 266.99004858 172.8
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