CID 6446804

1-penten-3-ol, 4-methyl-1-(3,4-methylenedioxyphenyl)-5-morpholino-

Structural Information

Molecular Formula
C17H23NO4
SMILES
CC(CN1CCOCC1)C(/C=C/C2=CC3=C(C=C2)OCO3)O
InChI
InChI=1S/C17H23NO4/c1-13(11-18-6-8-20-9-7-18)15(19)4-2-14-3-5-16-17(10-14)22-12-21-16/h2-5,10,13,15,19H,6-9,11-12H2,1H3/b4-2+
InChIKey
JEDYSITVWJPBNS-DUXPYHPUSA-N
Compound name
(E)-1-(1,3-benzodioxol-5-yl)-4-methyl-5-morpholin-4-ylpent-1-en-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

305.16272 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.169996 174.1
[M+Na]+ 328.151938 176.9
[M-H]- 304.155444 179.1
[M+NH4]+ 323.196543 184.8
[M+K]+ 344.125878 176.9
[M+H-H2O]+ 288.159980 166.6
[M+HCOO]- 350.160921 185.4
[M+CH3COO]- 364.176571 200.6
[M+Na-2H]- 326.137386 175.2
[M]+ 305.16217142 172.5
[M]- 305.16326858 172.5
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