CID 6447002

2-piperonyliden-6-morpholinomethyl-cyclohexanol [german]

Structural Information

Molecular Formula
C19H25NO4
SMILES
C1CC(C(/C(=C/C2=CC3=C(C=C2)OCO3)/C1)O)CN4CCOCC4
InChI
InChI=1S/C19H25NO4/c21-19-15(10-14-4-5-17-18(11-14)24-13-23-17)2-1-3-16(19)12-20-6-8-22-9-7-20/h4-5,10-11,16,19,21H,1-3,6-9,12-13H2/b15-10+
InChIKey
WZUKZWWUKUZCLB-XNTDXEJSSA-N
Compound name
(2E)-2-(1,3-benzodioxol-5-ylmethylidene)-6-(morpholin-4-ylmethyl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

331.17834 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.18562 179.2
[M+Na]+ 354.16756 181.9
[M-H]- 330.17106 187.0
[M+NH4]+ 349.21216 188.8
[M+K]+ 370.14150 180.5
[M+H-H2O]+ 314.17560 170.8
[M+HCOO]- 376.17654 188.9
[M+CH3COO]- 390.19219 187.5
[M+Na-2H]- 352.15301 179.2
[M]+ 331.17779 173.5
[M]- 331.17889 173.5
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