CID 1549789

Amiloxate

Structural Information

Molecular Formula
C15H20O3
SMILES
CC(C)CCOC(=O)/C=C/C1=CC=C(C=C1)OC
InChI
InChI=1S/C15H20O3/c1-12(2)10-11-18-15(16)9-6-13-4-7-14(17-3)8-5-13/h4-9,12H,10-11H2,1-3H3/b9-6+
InChIKey
UBNYRXMKIIGMKK-RMKNXTFCSA-N
Compound name
3-methylbutyl (E)-3-(4-methoxyphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

17
References

22062
Patents

248.14125 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.148526 158.8
[M+Na]+ 271.130468 164.8
[M-H]- 247.133974 162.0
[M+NH4]+ 266.175073 176.2
[M+K]+ 287.104408 162.8
[M+H-H2O]+ 231.138510 152.2
[M+HCOO]- 293.139451 180.6
[M+CH3COO]- 307.155101 195.2
[M+Na-2H]- 269.115916 160.7
[M]+ 248.14070142 162.9
[M]- 248.14179858 162.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe