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]+ 255.18558 161.7
[M+Na]+ 277.16752 168.1
[M-H]- 253.17102 164.4
[M+NH4]+ 272.21212 178.0
[M+K]+ 293.14146 161.4
[M+H-H2O]+ 237.17556 152.9
[M+HCOO]- 299.17650 178.8
[M+CH3COO]- 313.19215 172.0
[M+Na-2H]- 275.15297 164.3
[M]+ 254.17775 157.7
[M]- 254.17885 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.