CID 11185464

143322-57-0

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

127
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 168.3
[M+Na]+ 315.04672 171.5
[M+NH4]+ 310.09132 173.4
[M+K]+ 331.02066 172.7
[M-H]- 291.05022 169.5
[M+Na-2H]- 313.03217 170.2
[M]+ 292.05695 167.8
[M]- 292.05805 167.8
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