CID 200539

2238-78-0

Structural Information

Molecular Formula
C16H22ClNO2
SMILES
C=CCC(CCN1CCOCC1)(C2=CC=C(C=C2)Cl)O
InChI
InChI=1S/C16H22ClNO2/c1-2-7-16(19,14-3-5-15(17)6-4-14)8-9-18-10-12-20-13-11-18/h2-6,19H,1,7-13H2
InChIKey
TVUUCRALGQEQKO-UHFFFAOYSA-N
Compound name
3-(4-chlorophenyl)-1-morpholin-4-ylhex-5-en-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.1339 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.141176 170.5
[M+Na]+ 318.123118 175.0
[M-H]- 294.126624 173.5
[M+NH4]+ 313.167723 182.9
[M+K]+ 334.097058 170.4
[M+H-H2O]+ 278.131160 162.9
[M+HCOO]- 340.132101 180.5
[M+CH3COO]- 354.147751 197.6
[M+Na-2H]- 316.108566 174.3
[M]+ 295.13335142 169.3
[M]- 295.13444858 169.3
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.