CID 12010647

83406-09-1

Structural Information

Molecular Formula

C₁₁H₁₆O₄

SMILES

C1C2CC3(CC1(CC(C2)(C3)O)C(=O)O)O

InChI

InChI=1S/C11H16O4/c12-8(13)9-1-7-2-10(14,4-9)6-11(15,3-7)5-9/h7,14-15H,1-6H2,(H,12,13)

InChIKey

MDTVSQIPVYZMKT-UHFFFAOYSA-N

Compound name

3,5-dihydroxyadamantane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 84
Patents: 212.10486 Da
Monoisotopic Mass: -0.3
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]+	213.11214	152.7
[M+Na]+	235.09408	156.8
[M-H]-	211.09758	144.8
[M+NH4]+	230.13868	179.9
[M+K]+	251.06802	153.3
[M+H-H2O]+	195.10212	148.0
[M+HCOO]-	257.10306	155.4
[M+CH3COO]-	271.11871	160.7
[M+Na-2H]-	233.07953	164.6
[M]+	212.10431	152.4
[M]-	212.10541	152.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe