CID 27241448

4-[4-(2,6-dimethylphenoxy)but-2-en-1-yl]morpholine hydrochloride

Structural Information

Molecular Formula
C16H23NO2
SMILES
CC1=C(C(=CC=C1)C)OC/C=C/CN2CCOCC2
InChI
InChI=1S/C16H23NO2/c1-14-6-5-7-15(2)16(14)19-11-4-3-8-17-9-12-18-13-10-17/h3-7H,8-13H2,1-2H3/b4-3+
InChIKey
YGDNLECWVMXMBP-ONEGZZNKSA-N
Compound name
4-[(E)-4-(2,6-dimethylphenoxy)but-2-enyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

261.17288 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.18016 163.9
[M+Na]+ 284.16210 176.8
[M+NH4]+ 279.20670 171.8
[M+K]+ 300.13604 169.0
[M-H]- 260.16560 168.7
[M+Na-2H]- 282.14755 170.0
[M]+ 261.17233 167.1
[M]- 261.17343 167.1
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.