CID 3375603

4-[(4-methylphenyl)methyl]piperidine

Structural Information

Molecular Formula
C13H19N
SMILES
CC1=CC=C(C=C1)CC2CCNCC2
InChI
InChI=1S/C13H19N/c1-11-2-4-12(5-3-11)10-13-6-8-14-9-7-13/h2-5,13-14H,6-10H2,1H3
InChIKey
WOOPTEWYQWYUGW-UHFFFAOYSA-N
Compound name
4-[(4-methylphenyl)methyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

177
Patents

189.15175 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.159026 144.7
[M+Na]+ 212.140968 149.2
[M-H]- 188.144474 147.5
[M+NH4]+ 207.185573 161.9
[M+K]+ 228.114908 145.1
[M+H-H2O]+ 172.149010 137.1
[M+HCOO]- 234.149951 162.3
[M+CH3COO]- 248.165601 181.2
[M+Na-2H]- 210.126416 149.1
[M]+ 189.15120142 138.1
[M]- 189.15229858 138.1
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