CID 11035819

100499-85-2

Structural Information

Molecular Formula
C22H35NO3
SMILES
CCOC(=O)C1CCN(CC1)CCCC(C2=CC=C(C=C2)C(C)(C)C)O
InChI
InChI=1S/C22H35NO3/c1-5-26-21(25)18-12-15-23(16-13-18)14-6-7-20(24)17-8-10-19(11-9-17)22(2,3)4/h8-11,18,20,24H,5-7,12-16H2,1-4H3
InChIKey
QEAAPQXURBSWHU-UHFFFAOYSA-N
Compound name
ethyl 1-[4-(4-tert-butylphenyl)-4-hydroxybutyl]piperidine-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.2617 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.268976 192.8
[M+Na]+ 384.250918 194.3
[M-H]- 360.254424 194.9
[M+NH4]+ 379.295523 203.1
[M+K]+ 400.224858 191.0
[M+H-H2O]+ 344.258960 184.3
[M+HCOO]- 406.259901 204.5
[M+CH3COO]- 420.275551 215.5
[M+Na-2H]- 382.236366 190.5
[M]+ 361.26115142 191.6
[M]- 361.26224858 191.6
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.