CID 29460

5-bromo-3-(1-methyl-2-pyrrolidinyl)indole

Structural Information

Molecular Formula
C13H15BrN2
SMILES
CN1CCCC1C2=CNC3=C2C=C(C=C3)Br
InChI
InChI=1S/C13H15BrN2/c1-16-6-2-3-13(16)11-8-15-12-5-4-9(14)7-10(11)12/h4-5,7-8,13,15H,2-3,6H2,1H3
InChIKey
HDPUHIPIPLGBTR-UHFFFAOYSA-N
Compound name
5-bromo-3-(1-methylpyrrolidin-2-yl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

278.04187 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.04915 159.5
[M+Na]+ 301.03109 172.3
[M-H]- 277.03459 166.6
[M+NH4]+ 296.07569 181.0
[M+K]+ 317.00503 159.9
[M+H-H2O]+ 261.03913 159.2
[M+HCOO]- 323.04007 178.1
[M+CH3COO]- 337.05572 173.7
[M+Na-2H]- 299.01654 162.7
[M]+ 278.04132 176.4
[M]- 278.04242 176.4
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