CID 2779264

1-benzyl-4-(1h-pyrrol-1-yl)piperidine

Structural Information

Molecular Formula
C16H20N2
SMILES
C1CN(CCC1N2C=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C16H20N2/c1-2-6-15(7-3-1)14-17-12-8-16(9-13-17)18-10-4-5-11-18/h1-7,10-11,16H,8-9,12-14H2
InChIKey
UPRFZLANTXURKF-UHFFFAOYSA-N
Compound name
1-benzyl-4-pyrrol-1-ylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

240.16264 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.169916 156.9
[M+Na]+ 263.151858 161.7
[M-H]- 239.155364 162.7
[M+NH4]+ 258.196463 172.7
[M+K]+ 279.125798 157.1
[M+H-H2O]+ 223.159900 146.9
[M+HCOO]- 285.160841 175.8
[M+CH3COO]- 299.176491 167.6
[M+Na-2H]- 261.137306 159.6
[M]+ 240.16209142 151.8
[M]- 240.16318858 151.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.