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]+ 204.174676 149.1
[M+Na]+ 226.156618 154.1
[M-H]- 202.160124 152.2
[M+NH4]+ 221.201223 166.1
[M+K]+ 242.130558 149.8
[M+H-H2O]+ 186.164660 141.6
[M+HCOO]- 248.165601 166.3
[M+CH3COO]- 262.181251 185.3
[M+Na-2H]- 224.142066 152.3
[M]+ 203.16685142 143.2
[M]- 203.16794858 143.2
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.