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]+ 232.20598 158.4
[M+Na]+ 254.18792 161.3
[M-H]- 230.19142 160.8
[M+NH4]+ 249.23252 173.9
[M+K]+ 270.16186 156.9
[M+H-H2O]+ 214.19596 150.3
[M+HCOO]- 276.19690 173.9
[M+CH3COO]- 290.21255 191.1
[M+Na-2H]- 252.17337 160.0
[M]+ 231.19815 152.2
[M]- 231.19925 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.