CID 29451

3-(5-methyl-2-pyrrolidinyl)indole hydrochloride

Structural Information

Molecular Formula
C13H16N2
SMILES
CC1CCC(N1)C2=CNC3=CC=CC=C32
InChI
InChI=1S/C13H16N2/c1-9-6-7-13(15-9)11-8-14-12-5-3-2-4-10(11)12/h2-5,8-9,13-15H,6-7H2,1H3
InChIKey
CHSUKXFCIFJYJL-UHFFFAOYSA-N
Compound name
3-(5-methylpyrrolidin-2-yl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

200.13135 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.13863 145.0
[M+Na]+ 223.12057 153.4
[M-H]- 199.12407 147.8
[M+NH4]+ 218.16517 164.9
[M+K]+ 239.09451 147.8
[M+H-H2O]+ 183.12861 138.0
[M+HCOO]- 245.12955 164.2
[M+CH3COO]- 259.14520 157.1
[M+Na-2H]- 221.10602 147.7
[M]+ 200.13080 141.0
[M]- 200.13190 141.0
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

patents stripe