CID 13215639

89844-08-6

Structural Information

Molecular Formula

C₁₃H₁₄O₃

SMILES

C=CCOC1=CC=CC=C1C(=O)OCC=C

InChI

InChI=1S/C13H14O3/c1-3-9-15-12-8-6-5-7-11(12)13(14)16-10-4-2/h3-8H,1-2,9-10H2

InChIKey

NNVTZCWPUWXWAE-UHFFFAOYSA-N

Compound name

prop-2-enyl 2-prop-2-enoxybenzoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1266
Patents: 218.0943 Da
Monoisotopic Mass: 2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	219.101576	147.6
[M+Na]+	241.083518	154.8
[M-H]-	217.087024	151.0
[M+NH4]+	236.128123	166.1
[M+K]+	257.057458	152.2
[M+H-H2O]+	201.091560	141.3
[M+HCOO]-	263.092501	171.2
[M+CH3COO]-	277.108151	188.1
[M+Na-2H]-	239.068966	151.8
[M]+	218.09375142	150.9
[M]-	218.09484858	150.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe