CID 58937

5-cyano-3-piperidinoethylindole hydrochloride

Structural Information

Molecular Formula
C16H19N3
SMILES
C1CCN(CC1)CCC2=CNC3=C2C=C(C=C3)C#N
InChI
InChI=1S/C16H19N3/c17-11-13-4-5-16-15(10-13)14(12-18-16)6-9-19-7-2-1-3-8-19/h4-5,10,12,18H,1-3,6-9H2
InChIKey
BCFYZHQSHKSPSR-UHFFFAOYSA-N
Compound name
3-(2-piperidin-1-ylethyl)-1H-indole-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.1579 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.16518 159.9
[M+Na]+ 276.14712 168.9
[M-H]- 252.15062 161.1
[M+NH4]+ 271.19172 174.2
[M+K]+ 292.12106 160.3
[M+H-H2O]+ 236.15516 144.4
[M+HCOO]- 298.15610 173.8
[M+CH3COO]- 312.17175 168.8
[M+Na-2H]- 274.13257 162.7
[M]+ 253.15735 151.2
[M]- 253.15845 151.2
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

No patent data available for this compound.