CID 21936957

4-(3,5-dimethylphenyl)piperidine

Structural Information

Molecular Formula
C13H19N
SMILES
CC1=CC(=CC(=C1)C2CCNCC2)C
InChI
InChI=1S/C13H19N/c1-10-7-11(2)9-13(8-10)12-3-5-14-6-4-12/h7-9,12,14H,3-6H2,1-2H3
InChIKey
BINXWXLQELNOAU-UHFFFAOYSA-N
Compound name
4-(3,5-dimethylphenyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

189.15175 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[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
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