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]+ 296.14118 170.5
[M+Na]+ 318.12312 175.0
[M-H]- 294.12662 173.5
[M+NH4]+ 313.16772 182.9
[M+K]+ 334.09706 170.4
[M+H-H2O]+ 278.13116 162.9
[M+HCOO]- 340.13210 180.5
[M+CH3COO]- 354.14775 197.6
[M+Na-2H]- 316.10857 174.3
[M]+ 295.13335 169.3
[M]- 295.13445 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.