CID 13078438

Schembl11444226

Structural Information

Molecular Formula

C₁₃H₁₉N

SMILES

CC1=CC(=C(C=C1)C2CCNCC2)C

InChI

InChI=1S/C13H19N/c1-10-3-4-13(11(2)9-10)12-5-7-14-8-6-12/h3-4,9,12,14H,5-8H2,1-2H3

InChIKey

UQEABOWIBIOOCW-UHFFFAOYSA-N

Compound name

4-(2,4-dimethylphenyl)piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 71
Patents: 189.15175 Da
Monoisotopic Mass: 2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	190.15903	144.5
[M+Na]+	212.14097	150.0
[M-H]-	188.14447	147.8
[M+NH4]+	207.18557	162.2
[M+K]+	228.11491	146.0
[M+H-H2O]+	172.14901	137.2
[M+HCOO]-	234.14995	162.1
[M+CH3COO]-	248.16560	182.3
[M+Na-2H]-	210.12642	148.3
[M]+	189.15120	138.4
[M]-	189.15230	138.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe