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]+ 218.19032 153.9
[M+Na]+ 240.17226 157.2
[M-H]- 216.17576 156.4
[M+NH4]+ 235.21686 169.9
[M+K]+ 256.14620 153.1
[M+H-H2O]+ 200.18030 146.0
[M+HCOO]- 262.18124 169.8
[M+CH3COO]- 276.19689 188.1
[M+Na-2H]- 238.15771 156.0
[M]+ 217.18249 147.4
[M]- 217.18359 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