CID 2934243

1008233-79-1

Structural Information

Molecular Formula
C19H31NO
SMILES
CC1CCCN(C1)CCOC2=C(C=CC(=C2)C)C(C)(C)C
InChI
InChI=1S/C19H31NO/c1-15-8-9-17(19(3,4)5)18(13-15)21-12-11-20-10-6-7-16(2)14-20/h8-9,13,16H,6-7,10-12,14H2,1-5H3
InChIKey
PICXSYRGOPRWNV-UHFFFAOYSA-N
Compound name
1-[2-(2-tert-butyl-5-methylphenoxy)ethyl]-3-methylpiperidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

289.24057 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.24785 174.4
[M+Na]+ 312.22979 179.1
[M-H]- 288.23329 178.7
[M+NH4]+ 307.27439 189.1
[M+K]+ 328.20373 175.6
[M+H-H2O]+ 272.23783 166.3
[M+HCOO]- 334.23877 190.1
[M+CH3COO]- 348.25442 205.9
[M+Na-2H]- 310.21524 175.4
[M]+ 289.24002 173.5
[M]- 289.24112 173.5
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