CID 6435003

Cinnamic acid, (2,2-dimethyl-3-morpholinopropyl) ester, hydrochloride

Structural Information

Molecular Formula
C18H25NO3
SMILES
CC(C)(CN1CCOCC1)COC(=O)/C=C/C2=CC=CC=C2
InChI
InChI=1S/C18H25NO3/c1-18(2,14-19-10-12-21-13-11-19)15-22-17(20)9-8-16-6-4-3-5-7-16/h3-9H,10-15H2,1-2H3/b9-8+
InChIKey
RHKPNPPPURUXKS-CMDGGOBGSA-N
Compound name
(2,2-dimethyl-3-morpholin-4-ylpropyl) (E)-3-phenylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.18344 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.190716 174.6
[M+Na]+ 326.172658 177.2
[M-H]- 302.176164 178.7
[M+NH4]+ 321.217263 186.1
[M+K]+ 342.146598 175.2
[M+H-H2O]+ 286.180700 165.8
[M+HCOO]- 348.181641 189.6
[M+CH3COO]- 362.197291 202.1
[M+Na-2H]- 324.158106 178.0
[M]+ 303.18289142 173.5
[M]- 303.18398858 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

No patent data available for this compound.