CID 67497290

Methyl 6-bromoindoline-4-carboxylate

Structural Information

Molecular Formula
C10H10BrNO2
SMILES
COC(=O)C1=C2CCNC2=CC(=C1)Br
InChI
InChI=1S/C10H10BrNO2/c1-14-10(13)8-4-6(11)5-9-7(8)2-3-12-9/h4-5,12H,2-3H2,1H3
InChIKey
WVTFUQSMQBFVPR-UHFFFAOYSA-N
Compound name
methyl 6-bromo-2,3-dihydro-1H-indole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

254.98949 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.99677 150.8
[M+Na]+ 277.97871 152.7
[M+NH4]+ 273.02331 155.1
[M+K]+ 293.95265 154.6
[M-H]- 253.98221 149.9
[M+Na-2H]- 275.96416 151.6
[M]+ 254.98894 149.4
[M]- 254.99004 149.4
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