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
1
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]+ 263.12778 160.3
[M+Na]+ 285.10972 166.2
[M-H]- 261.11322 163.5
[M+NH4]+ 280.15432 176.9
[M+K]+ 301.08366 164.7
[M+H-H2O]+ 245.11776 153.7
[M+HCOO]- 307.11870 181.4
[M+CH3COO]- 321.13435 196.6
[M+Na-2H]- 283.09517 161.0
[M]+ 262.11995 164.4
[M]- 262.12105 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.