CID 6446804

Brn 0551652

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]+ 306.17000 174.1
[M+Na]+ 328.15194 176.9
[M-H]- 304.15544 179.1
[M+NH4]+ 323.19654 184.8
[M+K]+ 344.12588 176.9
[M+H-H2O]+ 288.15998 166.6
[M+HCOO]- 350.16092 185.4
[M+CH3COO]- 364.17657 200.6
[M+Na-2H]- 326.13739 175.2
[M]+ 305.16217 172.5
[M]- 305.16327 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