CID 6434909

Brn 5075221

Structural Information

Molecular Formula
C15H19NO4
SMILES
C1COCCN1CC(/C=C/C2=CC3=C(C=C2)OCO3)O
InChI
InChI=1S/C15H19NO4/c17-13(10-16-5-7-18-8-6-16)3-1-12-2-4-14-15(9-12)20-11-19-14/h1-4,9,13,17H,5-8,10-11H2/b3-1+
InChIKey
TZXHQWBYPAYWEV-HNQUOIGGSA-N
Compound name
(E)-4-(1,3-benzodioxol-5-yl)-1-morpholin-4-ylbut-3-en-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

277.1314 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.13868 164.0
[M+Na]+ 300.12062 168.0
[M-H]- 276.12412 169.3
[M+NH4]+ 295.16522 176.0
[M+K]+ 316.09456 168.0
[M+H-H2O]+ 260.12866 156.7
[M+HCOO]- 322.12960 177.1
[M+CH3COO]- 336.14525 174.0
[M+Na-2H]- 298.10607 167.4
[M]+ 277.13085 162.4
[M]- 277.13195 162.4
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

patents stripe