CID 3375603

4-[(4-methylphenyl)methyl]piperidine

Structural Information

Molecular Formula
C13H19N
SMILES
CC1=CC=C(C=C1)CC2CCNCC2
InChI
InChI=1S/C13H19N/c1-11-2-4-12(5-3-11)10-13-6-8-14-9-7-13/h2-5,13-14H,6-10H2,1H3
InChIKey
WOOPTEWYQWYUGW-UHFFFAOYSA-N
Compound name
4-[(4-methylphenyl)methyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

167
Patents

189.15175 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.15903 144.7
[M+Na]+ 212.14097 149.2
[M-H]- 188.14447 147.5
[M+NH4]+ 207.18557 161.9
[M+K]+ 228.11491 145.1
[M+H-H2O]+ 172.14901 137.1
[M+HCOO]- 234.14995 162.3
[M+CH3COO]- 248.16560 181.2
[M+Na-2H]- 210.12642 149.1
[M]+ 189.15120 138.1
[M]- 189.15230 138.1
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