CID 23662

3-(1-methyl-2-pyrrolidinyl)-1h-indole

Structural Information

Molecular Formula
C13H16N2
SMILES
CN1CCCC1C2=CNC3=CC=CC=C32
InChI
InChI=1S/C13H16N2/c1-15-8-4-7-13(15)11-9-14-12-6-3-2-5-10(11)12/h2-3,5-6,9,13-14H,4,7-8H2,1H3
InChIKey
FNTDGCHSJHAFAV-UHFFFAOYSA-N
Compound name
3-(1-methylpyrrolidin-2-yl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7
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 144.7
[M+Na]+ 223.12057 153.5
[M-H]- 199.12407 148.8
[M+NH4]+ 218.16517 165.3
[M+K]+ 239.09451 148.8
[M+H-H2O]+ 183.12861 137.4
[M+HCOO]- 245.12955 165.4
[M+CH3COO]- 259.14520 157.5
[M+Na-2H]- 221.10602 147.7
[M]+ 200.13080 142.5
[M]- 200.13190 142.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe