CID 3239817

1-hydroxy-4-oxahomoadamantan-5-one

Structural Information

Molecular Formula

C₁₀H₁₄O₃

SMILES

C1C2CC3CC(C2)(CC1C(=O)O3)O

InChI

InChI=1S/C10H14O3/c11-9-7-1-6-2-8(13-9)5-10(12,3-6)4-7/h6-8,12H,1-5H2

InChIKey

IYOCRSOAYQUGEF-UHFFFAOYSA-N

Compound name

1-hydroxy-4-oxatricyclo[4.3.1.13,8]undecan-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 7
References: 38
Patents: 182.0943 Da
Monoisotopic Mass: 0.7
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]+	183.101576	146.0
[M+Na]+	205.083518	154.2
[M-H]-	181.087024	147.0
[M+NH4]+	200.128123	168.3
[M+K]+	221.057458	149.8
[M+H-H2O]+	165.091560	147.6
[M+HCOO]-	227.092501	153.8
[M+CH3COO]-	241.108151	155.9
[M+Na-2H]-	203.068966	157.2
[M]+	182.09375142	145.5
[M]-	182.09484858	145.5

Literature stripe

literature stripe

Patent stripe

patents stripe