CID 3056443

1-(1-(p-tolyl)propyl)piperidine hydrochloride

Structural Information

Molecular Formula
C15H23N
SMILES
CCC(C1=CC=C(C=C1)C)N2CCCCC2
InChI
InChI=1S/C15H23N/c1-3-15(16-11-5-4-6-12-16)14-9-7-13(2)8-10-14/h7-10,15H,3-6,11-12H2,1-2H3
InChIKey
ZQLPHSZLROJJTK-UHFFFAOYSA-N
Compound name
1-[1-(4-methylphenyl)propyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 153.4
[M+Na]+ 240.17226 157.1
[M-H]- 216.17576 157.3
[M+NH4]+ 235.21686 170.2
[M+K]+ 256.14620 154.0
[M+H-H2O]+ 200.18030 145.2
[M+HCOO]- 262.18124 170.8
[M+CH3COO]- 276.19689 190.7
[M+Na-2H]- 238.15771 156.0
[M]+ 217.18249 148.7
[M]- 217.18359 148.7
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

patents stripe