CID 198922

1-piperidineethanol, 4-(3-indolylmethyl)-

Structural Information

Molecular Formula
C16H22N2O
SMILES
C1CN(CCC1CC2=CNC3=CC=CC=C32)CCO
InChI
InChI=1S/C16H22N2O/c19-10-9-18-7-5-13(6-8-18)11-14-12-17-16-4-2-1-3-15(14)16/h1-4,12-13,17,19H,5-11H2
InChIKey
BSSFPTZIYNJHCO-UHFFFAOYSA-N
Compound name
2-[4-(1H-indol-3-ylmethyl)piperidin-1-yl]ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.17322 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.18050 161.3
[M+Na]+ 281.16244 167.2
[M-H]- 257.16594 162.8
[M+NH4]+ 276.20704 176.7
[M+K]+ 297.13638 161.1
[M+H-H2O]+ 241.17048 152.8
[M+HCOO]- 303.17142 177.2
[M+CH3COO]- 317.18707 171.1
[M+Na-2H]- 279.14789 164.2
[M]+ 258.17267 157.3
[M]- 258.17377 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

No patent data available for this compound.