CID 429307

17768-36-4

Structural Information

Molecular Formula

C₁₂H₁₈O₃

SMILES

C1C2CC3(CC1CC(C2)(C3)O)CC(=O)O

InChI

InChI=1S/C12H18O3/c13-10(14)6-11-2-8-1-9(3-11)5-12(15,4-8)7-11/h8-9,15H,1-7H2,(H,13,14)

InChIKey

JFMDWSCOQLUOCZ-UHFFFAOYSA-N

Compound name

2-(3-hydroxy-1-adamantyl)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 6
References: 50
Patents: 210.1256 Da
Monoisotopic Mass: 1.6
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]+	211.13288	149.6
[M+Na]+	233.11482	157.1
[M+NH4]+	228.15942	162.5
[M+K]+	249.08876	147.5
[M-H]-	209.11832	145.9
[M+Na-2H]-	231.10027	146.6
[M]+	210.12505	149.6
[M]-	210.12615	149.6

Literature stripe

literature stripe

Patent stripe

patents stripe