CID 10729587

4-{[4-(propan-2-yl)phenyl]methyl}piperidine

Structural Information

Molecular Formula
C15H23N
SMILES
CC(C)C1=CC=C(C=C1)CC2CCNCC2
InChI
InChI=1S/C15H23N/c1-12(2)15-5-3-13(4-6-15)11-14-7-9-16-10-8-14/h3-6,12,14,16H,7-11H2,1-2H3
InChIKey
DYNAEHFTVFNQEX-UHFFFAOYSA-N
Compound name
4-[(4-propan-2-ylphenyl)methyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

217.18304 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.190316 153.9
[M+Na]+ 240.172258 157.2
[M-H]- 216.175764 156.4
[M+NH4]+ 235.216863 169.9
[M+K]+ 256.146198 153.1
[M+H-H2O]+ 200.180300 146.0
[M+HCOO]- 262.181241 169.8
[M+CH3COO]- 276.196891 188.1
[M+Na-2H]- 238.157706 156.0
[M]+ 217.18249142 147.4
[M]- 217.18358858 147.4
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

patents stripe