CID 85609

16839-48-8

Structural Information

Molecular Formula

C₉H₁₄O₃

SMILES

CC(=C)C(=O)OCCOCC=C

InChI

InChI=1S/C9H14O3/c1-4-5-11-6-7-12-9(10)8(2)3/h4H,1-2,5-7H2,3H3

InChIKey

ZCYIYBNDJKVCBR-UHFFFAOYSA-N

Compound name

2-prop-2-enoxyethyl 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1597
Patents: 170.0943 Da
Monoisotopic Mass: 1.7
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]+	171.101576	137.4
[M+Na]+	193.083518	143.9
[M-H]-	169.087024	137.5
[M+NH4]+	188.128123	157.8
[M+K]+	209.057458	143.5
[M+H-H2O]+	153.091560	132.6
[M+HCOO]-	215.092501	159.7
[M+CH3COO]-	229.108151	180.4
[M+Na-2H]-	191.068966	140.6
[M]+	170.09375142	140.8
[M]-	170.09484858	140.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe