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

0
Patents

240.16264 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.16992 156.9
[M+Na]+ 263.15186 161.7
[M-H]- 239.15536 162.7
[M+NH4]+ 258.19646 172.7
[M+K]+ 279.12580 157.1
[M+H-H2O]+ 223.15990 146.9
[M+HCOO]- 285.16084 175.8
[M+CH3COO]- 299.17649 167.6
[M+Na-2H]- 261.13731 159.6
[M]+ 240.16209 151.8
[M]- 240.16319 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.