CID 3056500

73790-62-2

Structural Information

Molecular Formula
C15H22ClN
SMILES
CCC(C1=CC=C(C=C1)Cl)N2CCC(CC2)C
InChI
InChI=1S/C15H22ClN/c1-3-15(13-4-6-14(16)7-5-13)17-10-8-12(2)9-11-17/h4-7,12,15H,3,8-11H2,1-2H3
InChIKey
QZRJCABGNCQRKD-UHFFFAOYSA-N
Compound name
1-[1-(4-chlorophenyl)propyl]-4-methylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.14407 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.15135 159.5
[M+Na]+ 274.13329 165.0
[M-H]- 250.13679 163.6
[M+NH4]+ 269.17789 176.1
[M+K]+ 290.10723 160.0
[M+H-H2O]+ 234.14133 152.0
[M+HCOO]- 296.14227 172.3
[M+CH3COO]- 310.15792 195.5
[M+Na-2H]- 272.11874 160.9
[M]+ 251.14352 157.4
[M]- 251.14462 157.4
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

No patent data available for this compound.