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]+ 264.195816 164.7
[M+Na]+ 286.177758 168.9
[M-H]- 262.181264 169.5
[M+NH4]+ 281.222363 178.5
[M+K]+ 302.151698 167.6
[M+H-H2O]+ 246.185800 156.5
[M+HCOO]- 308.186741 180.8
[M+CH3COO]- 322.202391 196.6
[M+Na-2H]- 284.163206 169.6
[M]+ 263.18799142 164.0
[M]- 263.18908858 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

patents stripe