CID 29457

3-(1-ethyl-5,5-dimethylpyrrolidin-2-yl)-1h-indole

Structural Information

Molecular Formula
C16H22N2
SMILES
CCN1C(CCC1(C)C)C2=CNC3=CC=CC=C32
InChI
InChI=1S/C16H22N2/c1-4-18-15(9-10-16(18,2)3)13-11-17-14-8-6-5-7-12(13)14/h5-8,11,15,17H,4,9-10H2,1-3H3
InChIKey
XAQRHUZUBSOOSY-UHFFFAOYSA-N
Compound name
3-(1-ethyl-5,5-dimethylpyrrolidin-2-yl)-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

242.1783 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.185576 157.8
[M+Na]+ 265.167518 167.3
[M-H]- 241.171024 162.2
[M+NH4]+ 260.212123 179.1
[M+K]+ 281.141458 161.8
[M+H-H2O]+ 225.175560 150.6
[M+HCOO]- 287.176501 177.5
[M+CH3COO]- 301.192151 170.1
[M+Na-2H]- 263.152966 159.6
[M]+ 242.17775142 157.3
[M]- 242.17884858 157.3
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