CID 165445304

6-bromo-1-[(tert-butoxy)carbonyl]-2,3-dihydro-1h-indole-2-carboxylic acid

Structural Information

Molecular Formula
C14H16BrNO4
SMILES
CC(C)(C)OC(=O)N1C(CC2=C1C=C(C=C2)Br)C(=O)O
InChI
InChI=1S/C14H16BrNO4/c1-14(2,3)20-13(19)16-10-7-9(15)5-4-8(10)6-11(16)12(17)18/h4-5,7,11H,6H2,1-3H3,(H,17,18)
InChIKey
GMVHNOIEWLNIIL-UHFFFAOYSA-N
Compound name
6-bromo-1-[(2-methylpropan-2-yl)oxycarbonyl]-2,3-dihydroindole-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.02628 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.03356 170.4
[M+Na]+ 364.01550 170.5
[M+NH4]+ 359.06010 172.6
[M+K]+ 379.98944 174.5
[M-H]- 340.01900 167.6
[M+Na-2H]- 362.00095 168.9
[M]+ 341.02573 168.1
[M]- 341.02683 168.1
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.