CID 45588

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

Structural Information

Molecular Formula
C13H16N2
SMILES
CN1C=C(C2=CC=CC=C21)C3CCCN3
InChI
InChI=1S/C13H16N2/c1-15-9-11(12-6-4-8-14-12)10-5-2-3-7-13(10)15/h2-3,5,7,9,12,14H,4,6,8H2,1H3
InChIKey
MHUGNQWXLUJVNZ-UHFFFAOYSA-N
Compound name
1-methyl-3-pyrrolidin-2-ylindole
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

200.13135 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.138626 144.7
[M+Na]+ 223.120568 153.5
[M-H]- 199.124074 148.8
[M+NH4]+ 218.165173 165.3
[M+K]+ 239.094508 148.8
[M+H-H2O]+ 183.128610 137.4
[M+HCOO]- 245.129551 165.4
[M+CH3COO]- 259.145201 157.5
[M+Na-2H]- 221.106016 147.7
[M]+ 200.13080142 142.5
[M]- 200.13189858 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

No literature data available for this compound.

Patent stripe

patents stripe