CID 41636

5-hydroxy-3-(4-piperidylmethyl)indole

Structural Information

Molecular Formula
C14H18N2O
SMILES
C1CNCCC1CC2=CNC3=C2C=C(C=C3)O
InChI
InChI=1S/C14H18N2O/c17-12-1-2-14-13(8-12)11(9-16-14)7-10-3-5-15-6-4-10/h1-2,8-10,15-17H,3-7H2
InChIKey
KJJHGJHFMCUPLT-UHFFFAOYSA-N
Compound name
3-(piperidin-4-ylmethyl)-1H-indol-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.1419 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.14918 152.4
[M+Na]+ 253.13112 159.0
[M-H]- 229.13462 153.1
[M+NH4]+ 248.17572 168.4
[M+K]+ 269.10506 152.4
[M+H-H2O]+ 213.13916 144.8
[M+HCOO]- 275.14010 167.6
[M+CH3COO]- 289.15575 162.6
[M+Na-2H]- 251.11657 156.1
[M]+ 230.14135 146.0
[M]- 230.14245 146.0
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.