CID 3054784

1-(2-(2-methyl-1h-indol-3-yl)ethyl)-3-piperidinol

Structural Information

Molecular Formula
C16H22N2O
SMILES
CC1=C(C2=CC=CC=C2N1)CCN3CCCC(C3)O
InChI
InChI=1S/C16H22N2O/c1-12-14(15-6-2-3-7-16(15)17-12)8-10-18-9-4-5-13(19)11-18/h2-3,6-7,13,17,19H,4-5,8-11H2,1H3
InChIKey
QTSGIPLJZBOWNT-UHFFFAOYSA-N
Compound name
1-[2-(2-methyl-1H-indol-3-yl)ethyl]piperidin-3-ol
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]+ 259.180496 161.8
[M+Na]+ 281.162438 168.8
[M-H]- 257.165944 163.8
[M+NH4]+ 276.207043 177.6
[M+K]+ 297.136378 162.6
[M+H-H2O]+ 241.170480 153.7
[M+HCOO]- 303.171421 177.8
[M+CH3COO]- 317.187071 172.0
[M+Na-2H]- 279.147886 164.0
[M]+ 258.17267142 158.2
[M]- 258.17376858 158.2
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.