CID 6446803

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

Structural Information

Molecular Formula
C16H21NO4
SMILES
CC(C(/C=C/C1=CC2=C(C=C1)OCO2)O)N3CCOCC3
InChI
InChI=1S/C16H21NO4/c1-12(17-6-8-19-9-7-17)14(18)4-2-13-3-5-15-16(10-13)21-11-20-15/h2-5,10,12,14,18H,6-9,11H2,1H3/b4-2+
InChIKey
LKBDZHLOCIIHDK-DUXPYHPUSA-N
Compound name
(E)-1-(1,3-benzodioxol-5-yl)-4-morpholin-4-ylpent-1-en-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.14706 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.15434 169.4
[M+Na]+ 314.13628 172.6
[M-H]- 290.13978 174.7
[M+NH4]+ 309.18088 180.7
[M+K]+ 330.11022 172.9
[M+H-H2O]+ 274.14432 162.1
[M+HCOO]- 336.14526 181.1
[M+CH3COO]- 350.16091 197.6
[M+Na-2H]- 312.12173 171.1
[M]+ 291.14651 167.5
[M]- 291.14761 167.5
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

No patent data available for this compound.