CID 6450437

72845-39-7

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]+ 279.159076 166.3
[M+Na]+ 301.141018 171.9
[M-H]- 277.144524 169.1
[M+NH4]+ 296.185623 182.4
[M+K]+ 317.114958 169.8
[M+H-H2O]+ 261.149060 159.1
[M+HCOO]- 323.150001 188.9
[M+CH3COO]- 337.165651 199.4
[M+Na-2H]- 299.126466 168.9
[M]+ 278.15125142 172.8
[M]- 278.15234858 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.