CID 6446314

31013 cb

Structural Information

Molecular Formula
C19H26ClNO
SMILES
C1CCC(CC1)C2=C(C=C(C=C2)/C=C/CN3CCOCC3)Cl
InChI
InChI=1S/C19H26ClNO/c20-19-15-16(5-4-10-21-11-13-22-14-12-21)8-9-18(19)17-6-2-1-3-7-17/h4-5,8-9,15,17H,1-3,6-7,10-14H2/b5-4+
InChIKey
IIEANWHUUWCCJO-SNAWJCMRSA-N
Compound name
4-[(E)-3-(3-chloro-4-cyclohexylphenyl)prop-2-enyl]morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

319.1703 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.17758 179.9
[M+Na]+ 342.15952 182.4
[M-H]- 318.16302 186.1
[M+NH4]+ 337.20412 191.4
[M+K]+ 358.13346 177.0
[M+H-H2O]+ 302.16756 170.1
[M+HCOO]- 364.16850 188.6
[M+CH3COO]- 378.18415 187.9
[M+Na-2H]- 340.14497 179.9
[M]+ 319.16975 173.9
[M]- 319.17085 173.9
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