CID 113535162

1714637-02-1

Structural Information

Molecular Formula
C16H25N
SMILES
CC(C)CC1=CC=CC(=C1)CC2CCNCC2
InChI
InChI=1S/C16H25N/c1-13(2)10-15-4-3-5-16(12-15)11-14-6-8-17-9-7-14/h3-5,12-14,17H,6-11H2,1-2H3
InChIKey
WGBMMBKUYHBGTI-UHFFFAOYSA-N
Compound name
4-[[3-(2-methylpropyl)phenyl]methyl]piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.1987 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.205976 158.4
[M+Na]+ 254.187918 161.3
[M-H]- 230.191424 160.8
[M+NH4]+ 249.232523 173.9
[M+K]+ 270.161858 156.9
[M+H-H2O]+ 214.195960 150.3
[M+HCOO]- 276.196901 173.9
[M+CH3COO]- 290.212551 191.1
[M+Na-2H]- 252.173366 160.0
[M]+ 231.19815142 152.2
[M]- 231.19924858 152.2
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

No patent data available for this compound.