CID 4778268

4-[(2,5-dimethylphenyl)methyl]piperidine

Structural Information

Molecular Formula
C14H21N
SMILES
CC1=CC(=C(C=C1)C)CC2CCNCC2
InChI
InChI=1S/C14H21N/c1-11-3-4-12(2)14(9-11)10-13-5-7-15-8-6-13/h3-4,9,13,15H,5-8,10H2,1-2H3
InChIKey
BIBFFFKIOBFLSN-UHFFFAOYSA-N
Compound name
4-[(2,5-dimethylphenyl)methyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

203.1674 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.17468 149.8
[M+Na]+ 226.15662 163.1
[M+NH4]+ 221.20122 159.2
[M+K]+ 242.13056 154.8
[M-H]- 202.16012 154.2
[M+Na-2H]- 224.14207 157.4
[M]+ 203.16685 153.0
[M]- 203.16795 153.0
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.