CID 6450437

2-propenoic acid, 3-(4-methoxyphenyl)-, 2-butoxyethyl ester

Structural Information

Molecular Formula
C16H22O4
SMILES
CCCCOCCOC(=O)/C=C/C1=CC=C(C=C1)OC
InChI
InChI=1S/C16H22O4/c1-3-4-11-19-12-13-20-16(17)10-7-14-5-8-15(18-2)9-6-14/h5-10H,3-4,11-13H2,1-2H3/b10-7+
InChIKey
LUPLDBUGMCGYST-JXMROGBWSA-N
Compound name
2-butoxyethyl (E)-3-(4-methoxyphenyl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

278.1518 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.15908 166.3
[M+Na]+ 301.14102 171.9
[M-H]- 277.14452 169.1
[M+NH4]+ 296.18562 182.4
[M+K]+ 317.11496 169.8
[M+H-H2O]+ 261.14906 159.1
[M+HCOO]- 323.15000 188.9
[M+CH3COO]- 337.16565 199.4
[M+Na-2H]- 299.12647 168.9
[M]+ 278.15125 172.8
[M]- 278.15235 172.8
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.