CID 3056536

1-(1-phenylpentyl)piperidine hydrochloride

Structural Information

Molecular Formula
C16H25N
SMILES
CCCCC(C1=CC=CC=C1)N2CCCCC2
InChI
InChI=1S/C16H25N/c1-2-3-12-16(15-10-6-4-7-11-15)17-13-8-5-9-14-17/h4,6-7,10-11,16H,2-3,5,8-9,12-14H2,1H3
InChIKey
LRIGRSPMFXXINE-UHFFFAOYSA-N
Compound name
1-(1-phenylpentyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

231.1987 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.20598 158.2
[M+Na]+ 254.18792 160.5
[M-H]- 230.19142 161.5
[M+NH4]+ 249.23252 174.0
[M+K]+ 270.16186 157.1
[M+H-H2O]+ 214.19596 149.5
[M+HCOO]- 276.19690 175.2
[M+CH3COO]- 290.21255 192.6
[M+Na-2H]- 252.17337 160.9
[M]+ 231.19815 153.5
[M]- 231.19925 153.5
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