CID 29456

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

Structural Information

Molecular Formula
C14H18N2
SMILES
CCC1CCC(N1)C2=CNC3=CC=CC=C32
InChI
InChI=1S/C14H18N2/c1-2-10-7-8-14(16-10)12-9-15-13-6-4-3-5-11(12)13/h3-6,9-10,14-16H,2,7-8H2,1H3
InChIKey
MVZLYWOPTCNQHC-UHFFFAOYSA-N
Compound name
3-(5-ethylpyrrolidin-2-yl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

214.147 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.15428 149.5
[M+Na]+ 237.13622 157.5
[M-H]- 213.13972 152.1
[M+NH4]+ 232.18082 168.9
[M+K]+ 253.11016 151.6
[M+H-H2O]+ 197.14426 142.3
[M+HCOO]- 259.14520 168.4
[M+CH3COO]- 273.16085 161.2
[M+Na-2H]- 235.12167 151.6
[M]+ 214.14645 145.8
[M]- 214.14755 145.8
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