CID 107301

4563-45-5

Structural Information

Molecular Formula

C₁₀H₁₄O₃

SMILES

CC(=C)C(=O)OCC1CCC=CO1

InChI

InChI=1S/C10H14O3/c1-8(2)10(11)13-7-9-5-3-4-6-12-9/h4,6,9H,1,3,5,7H2,2H3

InChIKey

LPRYJOKKYFKWSI-UHFFFAOYSA-N

Compound name

3,4-dihydro-2H-pyran-2-ylmethyl 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 19
Patents: 182.0943 Da
Monoisotopic Mass: 2.1
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]+	183.101576	139.7
[M+Na]+	205.083518	144.8
[M-H]-	181.087024	143.2
[M+NH4]+	200.128123	157.9
[M+K]+	221.057458	145.3
[M+H-H2O]+	165.091560	133.8
[M+HCOO]-	227.092501	159.2
[M+CH3COO]-	241.108151	180.4
[M+Na-2H]-	203.068966	144.0
[M]+	182.09375142	139.3
[M]-	182.09484858	139.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe