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

0
Patents

242.1783 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.18558 157.8
[M+Na]+ 265.16752 167.3
[M-H]- 241.17102 162.2
[M+NH4]+ 260.21212 179.1
[M+K]+ 281.14146 161.8
[M+H-H2O]+ 225.17556 150.6
[M+HCOO]- 287.17650 177.5
[M+CH3COO]- 301.19215 170.1
[M+Na-2H]- 263.15297 159.6
[M]+ 242.17775 157.3
[M]- 242.17885 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