CID 3056534

1-(1-phenylbutyl)piperidine hydrochloride

Structural Information

Molecular Formula
C15H23N
SMILES
CCCC(C1=CC=CC=C1)N2CCCCC2
InChI
InChI=1S/C15H23N/c1-2-9-15(14-10-5-3-6-11-14)16-12-7-4-8-13-16/h3,5-6,10-11,15H,2,4,7-9,12-13H2,1H3
InChIKey
YPSXGQVEVYVDBI-UHFFFAOYSA-N
Compound name
1-(1-phenylbutyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

345
Patents

217.18304 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.19032 153.7
[M+Na]+ 240.17226 156.4
[M-H]- 216.17576 157.2
[M+NH4]+ 235.21686 170.1
[M+K]+ 256.14620 153.2
[M+H-H2O]+ 200.18030 145.2
[M+HCOO]- 262.18124 171.0
[M+CH3COO]- 276.19689 189.6
[M+Na-2H]- 238.15771 157.0
[M]+ 217.18249 148.6
[M]- 217.18359 148.6
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

patents stripe