CID 4715234

2-(3,4-dimethylphenyl)piperidine

Structural Information

Molecular Formula
C13H19N
SMILES
CC1=C(C=C(C=C1)C2CCCCN2)C
InChI
InChI=1S/C13H19N/c1-10-6-7-12(9-11(10)2)13-5-3-4-8-14-13/h6-7,9,13-14H,3-5,8H2,1-2H3
InChIKey
QTUJZPRAUZIQPZ-UHFFFAOYSA-N
Compound name
2-(3,4-dimethylphenyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
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 144.5
[M+Na]+ 212.140968 150.0
[M-H]- 188.144474 147.8
[M+NH4]+ 207.185573 162.2
[M+K]+ 228.114908 146.0
[M+H-H2O]+ 172.149010 137.2
[M+HCOO]- 234.149951 162.1
[M+CH3COO]- 248.165601 182.3
[M+Na-2H]- 210.126416 148.3
[M]+ 189.15120142 138.4
[M]- 189.15229858 138.4
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