CID 200541

2238-79-1

Structural Information

Molecular Formula
C17H25NO2
SMILES
CC1=CC=C(C=C1)C(CCN2CCOCC2)(CC=C)O
InChI
InChI=1S/C17H25NO2/c1-3-8-17(19,16-6-4-15(2)5-7-16)9-10-18-11-13-20-14-12-18/h3-7,19H,1,8-14H2,2H3
InChIKey
XCXSNJLITNKDBO-UHFFFAOYSA-N
Compound name
3-(4-methylphenyl)-1-morpholin-4-ylhex-5-en-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.18854 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.195816 168.3
[M+Na]+ 298.177758 171.7
[M-H]- 274.181264 171.4
[M+NH4]+ 293.222363 180.7
[M+K]+ 314.151698 168.6
[M+H-H2O]+ 258.185800 160.2
[M+HCOO]- 320.186741 182.6
[M+CH3COO]- 334.202391 196.9
[M+Na-2H]- 296.163206 172.2
[M]+ 275.18799142 165.4
[M]- 275.18908858 165.4
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.