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]+ 362.26898 192.8
[M+Na]+ 384.25092 194.3
[M-H]- 360.25442 194.9
[M+NH4]+ 379.29552 203.1
[M+K]+ 400.22486 191.0
[M+H-H2O]+ 344.25896 184.3
[M+HCOO]- 406.25990 204.5
[M+CH3COO]- 420.27555 215.5
[M+Na-2H]- 382.23637 190.5
[M]+ 361.26115 191.6
[M]- 361.26225 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.