CID 9964364

Mevalonic lactone methacrylate

Structural Information

Molecular Formula

C₁₀H₁₄O₄

SMILES

CC(=C)C(=O)OC1(CCOC(=O)C1)C

InChI

InChI=1S/C10H14O4/c1-7(2)9(12)14-10(3)4-5-13-8(11)6-10/h1,4-6H2,2-3H3

InChIKey

JANRUIBBIKVUHU-UHFFFAOYSA-N

Compound name

(4-methyl-2-oxooxan-4-yl) 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 674
Patents: 198.0892 Da
Monoisotopic Mass: 1.3
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]+	199.096476	140.3
[M+Na]+	221.078418	146.5
[M-H]-	197.081924	144.3
[M+NH4]+	216.123023	160.1
[M+K]+	237.052358	147.5
[M+H-H2O]+	181.086460	135.8
[M+HCOO]-	243.087401	158.8
[M+CH3COO]-	257.103051	182.8
[M+Na-2H]-	219.063866	144.5
[M]+	198.08865142	140.1
[M]-	198.08974858	140.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe