CID 5373773

Cinoxate

Structural Information

Molecular Formula
C14H18O4
SMILES
CCOCCOC(=O)/C=C/C1=CC=C(C=C1)OC
InChI
InChI=1S/C14H18O4/c1-3-17-10-11-18-14(15)9-6-12-4-7-13(16-2)8-5-12/h4-9H,3,10-11H2,1-2H3/b9-6+
InChIKey
CMDKPGRTAQVGFQ-RMKNXTFCSA-N
Compound name
2-ethoxyethyl (E)-3-(4-methoxyphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

15
References

14752
Patents

250.12051 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.12779 157.6
[M+Na]+ 273.10973 168.8
[M+NH4]+ 268.15433 164.0
[M+K]+ 289.08367 162.5
[M-H]- 249.11323 158.1
[M+Na-2H]- 271.09518 162.4
[M]+ 250.11996 159.1
[M]- 250.12106 159.1
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