CID 22228790

3-hydroxyadamantan-1-yl acrylate

Structural Information

Molecular Formula

C₁₃H₁₈O₃

SMILES

C=CC(=O)OC12CC3CC(C1)CC(C3)(C2)O

InChI

InChI=1S/C13H18O3/c1-2-11(14)16-13-6-9-3-10(7-13)5-12(15,4-9)8-13/h2,9-10,15H,1,3-8H2

InChIKey

DKDKCSYKDZNMMA-UHFFFAOYSA-N

Compound name

(3-hydroxy-1-adamantyl) prop-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1897
Patents: 222.1256 Da
Monoisotopic Mass: 2.0
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]+	223.13288	153.5
[M+Na]+	245.11482	161.5
[M+NH4]+	240.15942	166.4
[M+K]+	261.08876	151.2
[M-H]-	221.11832	150.1
[M+Na-2H]-	243.10027	150.8
[M]+	222.12505	153.7
[M]-	222.12615	153.7

Literature stripe

literature stripe

Patent stripe

patents stripe