CID 868398

Cbmicro_021260

Structural Information

Molecular Formula
C16H25NO2
SMILES
CC(C)(C)C1=CC=C(C=C1)OCCN2CCOCC2
InChI
InChI=1S/C16H25NO2/c1-16(2,3)14-4-6-15(7-5-14)19-13-10-17-8-11-18-12-9-17/h4-7H,8-13H2,1-3H3
InChIKey
HSZHFQSJAXCZOM-UHFFFAOYSA-N
Compound name
4-[2-(4-tert-butylphenoxy)ethyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

76
Patents

263.18854 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.19582 164.7
[M+Na]+ 286.17776 168.9
[M-H]- 262.18126 169.5
[M+NH4]+ 281.22236 178.5
[M+K]+ 302.15170 167.6
[M+H-H2O]+ 246.18580 156.5
[M+HCOO]- 308.18674 180.8
[M+CH3COO]- 322.20239 196.6
[M+Na-2H]- 284.16321 169.6
[M]+ 263.18799 164.0
[M]- 263.18909 164.0
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.