CID 32038

Methacrylic acid, ester with isopropyl glycolate

Structural Information

Molecular Formula

C₉H₁₄O₄

SMILES

CC(C)OCC(=O)OC(=O)C(=C)C

InChI

InChI=1S/C9H14O4/c1-6(2)9(11)13-8(10)5-12-7(3)4/h7H,1,5H2,2-4H3

InChIKey

OHBMDHCQVRSPBC-UHFFFAOYSA-N

Compound name

(2-propan-2-yloxyacetyl) 2-methylprop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 186.0892 Da
Monoisotopic Mass: 1.5
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]+	187.09648	140.0
[M+Na]+	209.07842	146.2
[M-H]-	185.08192	140.2
[M+NH4]+	204.12302	159.7
[M+K]+	225.05236	147.1
[M+H-H2O]+	169.08646	135.2
[M+HCOO]-	231.08740	160.5
[M+CH3COO]-	245.10305	183.6
[M+Na-2H]-	207.06387	140.8
[M]+	186.08865	143.5
[M]-	186.08975	143.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe