CID 13258812

1185297-19-1

Structural Information

Molecular Formula
C15H23N
SMILES
CC(C)(C)C1=CC=C(C=C1)C2CCNCC2
InChI
InChI=1S/C15H23N/c1-15(2,3)14-6-4-12(5-7-14)13-8-10-16-11-9-13/h4-7,13,16H,8-11H2,1-3H3
InChIKey
WVOOEDDRRXWYSR-UHFFFAOYSA-N
Compound name
4-(4-tert-butylphenyl)piperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

68
Patents

217.18304 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.190316 153.9
[M+Na]+ 240.172258 158.1
[M-H]- 216.175764 156.8
[M+NH4]+ 235.216863 170.3
[M+K]+ 256.146198 154.0
[M+H-H2O]+ 200.180300 146.7
[M+HCOO]- 262.181241 169.3
[M+CH3COO]- 276.196891 186.9
[M+Na-2H]- 238.157706 158.0
[M]+ 217.18249142 147.5
[M]- 217.18358858 147.5
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