CID 63156489

2225144-04-5

Structural Information

Molecular Formula

C₁₃H₁₉N

SMILES

CC1=CC=C(C=C1)C2(CCNCC2)C

InChI

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

InChIKey

ODQQROGWBQUTHL-UHFFFAOYSA-N

Compound name

4-methyl-4-(4-methylphenyl)piperidine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 189.15175 Da
Monoisotopic Mass: 2.9
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	144.8
[M+Na]+	212.14097	150.4
[M-H]-	188.14447	148.2
[M+NH4]+	207.18557	164.2
[M+K]+	228.11491	146.6
[M+H-H2O]+	172.14901	137.8
[M+HCOO]-	234.14995	162.5
[M+CH3COO]-	248.16560	156.3
[M+Na-2H]-	210.12642	150.3
[M]+	189.15120	138.6
[M]-	189.15230	138.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe