CID 11171709

782504-68-1

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
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 149.1
[M+Na]+ 226.15662 154.1
[M-H]- 202.16012 152.2
[M+NH4]+ 221.20122 166.1
[M+K]+ 242.13056 149.8
[M+H-H2O]+ 186.16466 141.6
[M+HCOO]- 248.16560 166.3
[M+CH3COO]- 262.18125 185.3
[M+Na-2H]- 224.14207 152.3
[M]+ 203.16685 143.2
[M]- 203.16795 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

patents stripe