CID 6366007

Einecs 284-234-0

Structural Information

Molecular Formula
C15H18O4
SMILES
CCOC(=O)/C=C/C1=CC=CC=C1OC(=O)C(C)C
InChI
InChI=1S/C15H18O4/c1-4-18-14(16)10-9-12-7-5-6-8-13(12)19-15(17)11(2)3/h5-11H,4H2,1-3H3/b10-9+
InChIKey
SYUQBLIYJBQOHW-MDZDMXLPSA-N
Compound name
[2-[(E)-3-ethoxy-3-oxoprop-1-enyl]phenyl] 2-methylpropanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

262.1205 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.127776 160.3
[M+Na]+ 285.109718 166.2
[M-H]- 261.113224 163.5
[M+NH4]+ 280.154323 176.9
[M+K]+ 301.083658 164.7
[M+H-H2O]+ 245.117760 153.7
[M+HCOO]- 307.118701 181.4
[M+CH3COO]- 321.134351 196.6
[M+Na-2H]- 283.095166 161.0
[M]+ 262.11995142 164.4
[M]- 262.12104858 164.4
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.