CID 6484207

1614-38-6

Structural Information

Molecular Formula

C₁₂H₁₈O₃

SMILES

C1C2CC3CC1CC(C2)(C3)OCC(=O)O

InChI

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

InChIKey

RYNSYNZPEBDAAA-UHFFFAOYSA-N

Compound name

2-(1-adamantyloxy)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 54
Patents: 210.1256 Da
Monoisotopic Mass: 2.3
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]+	211.13288	148.7
[M+Na]+	233.11482	150.5
[M-H]-	209.11832	142.7
[M+NH4]+	228.15942	173.4
[M+K]+	249.08876	148.1
[M+H-H2O]+	193.12286	143.4
[M+HCOO]-	255.12380	154.3
[M+CH3COO]-	269.13945	157.1
[M+Na-2H]-	231.10027	159.0
[M]+	210.12505	149.4
[M]-	210.12615	149.4

Literature stripe

literature stripe

Patent stripe

patents stripe