CID 7137

Refchem:1087544

Structural Information

Molecular Formula
C12H14O3
SMILES
CC=CC1=CC(=C(C=C1)OC(=O)C)OC
InChI
InChI=1S/C12H14O3/c1-4-5-10-6-7-11(15-9(2)13)12(8-10)14-3/h4-8H,1-3H3
InChIKey
IUSBVFZKQJGVEP-UHFFFAOYSA-N
Compound name
(2-methoxy-4-prop-1-enylphenyl) acetate
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

13
References

2331
Patents

206.0943 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.10158 143.6
[M+Na]+ 229.08352 152.0
[M-H]- 205.08702 147.6
[M+NH4]+ 224.12812 163.1
[M+K]+ 245.05746 150.4
[M+H-H2O]+ 189.09156 137.8
[M+HCOO]- 251.09250 167.4
[M+CH3COO]- 265.10815 186.5
[M+Na-2H]- 227.06897 147.7
[M]+ 206.09375 147.6
[M]- 206.09485 147.6
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.