CID 116625912

1771165-81-1

Structural Information

Molecular Formula
C14H17BrN2
SMILES
C1CCN(C1)CCN2C=CC3=C2C=CC=C3Br
InChI
InChI=1S/C14H17BrN2/c15-13-4-3-5-14-12(13)6-9-17(14)11-10-16-7-1-2-8-16/h3-6,9H,1-2,7-8,10-11H2
InChIKey
MNTYUAKWOWHCDG-UHFFFAOYSA-N
Compound name
4-bromo-1-(2-pyrrolidin-1-ylethyl)indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.0575 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.06478 163.5
[M+Na]+ 315.04672 175.4
[M-H]- 291.05022 171.3
[M+NH4]+ 310.09132 184.8
[M+K]+ 331.02066 163.8
[M+H-H2O]+ 275.05476 162.5
[M+HCOO]- 337.05570 183.2
[M+CH3COO]- 351.07135 177.6
[M+Na-2H]- 313.03217 167.2
[M]+ 292.05695 182.0
[M]- 292.05805 182.0
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.