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
6
Annotation Hits

15
References

15764
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 157.0
[M+Na]+ 273.10973 163.5
[M-H]- 249.11323 160.2
[M+NH4]+ 268.15433 174.3
[M+K]+ 289.08367 161.8
[M+H-H2O]+ 233.11777 150.2
[M+HCOO]- 295.11871 180.3
[M+CH3COO]- 309.13436 193.4
[M+Na-2H]- 271.09518 160.7
[M]+ 250.11996 162.7
[M]- 250.12106 162.7
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