CID 11185464

5-bromo-3-[[(2r)-1-methyl-2-pyrrolidinyl]methyl]-1h-indole

Structural Information

Molecular Formula
C14H17BrN2
SMILES
CN1CCC[C@@H]1CC2=CNC3=C2C=C(C=C3)Br
InChI
InChI=1S/C14H17BrN2/c1-17-6-2-3-12(17)7-10-9-16-14-5-4-11(15)8-13(10)14/h4-5,8-9,12,16H,2-3,6-7H2,1H3/t12-/m1/s1
InChIKey
JCXOJXALBTZEFE-GFCCVEGCSA-N
Compound name
5-bromo-3-[[(2R)-1-methylpyrrolidin-2-yl]methyl]-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

131
Patents

292.0575 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.06478 164.1
[M+Na]+ 315.04672 176.4
[M-H]- 291.05022 171.0
[M+NH4]+ 310.09132 185.1
[M+K]+ 331.02066 163.8
[M+H-H2O]+ 275.05476 163.5
[M+HCOO]- 337.05570 182.3
[M+CH3COO]- 351.07135 177.8
[M+Na-2H]- 313.03217 166.8
[M]+ 292.05695 181.3
[M]- 292.05805 181.3
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