CID 10192585

3-hydroxy-2,2-dimethylpropyl acrylate

Structural Information

Molecular Formula

C₈H₁₄O₃

SMILES

CC(C)(CO)COC(=O)C=C

InChI

InChI=1S/C8H14O3/c1-4-7(10)11-6-8(2,3)5-9/h4,9H,1,5-6H2,2-3H3

InChIKey

MRIKSZXJKCQQFT-UHFFFAOYSA-N

Compound name

(3-hydroxy-2,2-dimethylpropyl) prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3828
Patents: 158.0943 Da
Monoisotopic Mass: 1.2
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]+	159.101576	134.6
[M+Na]+	181.083518	141.5
[M-H]-	157.087024	133.6
[M+NH4]+	176.128123	155.1
[M+K]+	197.057458	140.9
[M+H-H2O]+	141.091560	130.7
[M+HCOO]-	203.092501	154.9
[M+CH3COO]-	217.108151	175.1
[M+Na-2H]-	179.068966	139.7
[M]+	158.09375142	136.5
[M]-	158.09484858	136.5

Literature stripe

literature stripe

Patent stripe

patents stripe