CID 59001

1-allyl-2-skatylpiperidine

Structural Information

Molecular Formula
C17H22N2
SMILES
C=CCN1CCCCC1CC2=CNC3=CC=CC=C32
InChI
InChI=1S/C17H22N2/c1-2-10-19-11-6-5-7-15(19)12-14-13-18-17-9-4-3-8-16(14)17/h2-4,8-9,13,15,18H,1,5-7,10-12H2
InChIKey
AUZTXLUFIXTFDN-UHFFFAOYSA-N
Compound name
3-[(1-prop-2-enylpiperidin-2-yl)methyl]-1H-indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.1783 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.185576 161.7
[M+Na]+ 277.167518 168.1
[M-H]- 253.171024 164.4
[M+NH4]+ 272.212123 178.0
[M+K]+ 293.141458 161.4
[M+H-H2O]+ 237.175560 152.9
[M+HCOO]- 299.176501 178.8
[M+CH3COO]- 313.192151 172.0
[M+Na-2H]- 275.152966 164.3
[M]+ 254.17775142 157.7
[M]- 254.17884858 157.7
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.