CID 21116375

Ns00048266

Structural Information

Molecular Formula

C₈H₁₄O₃

SMILES

C1CC(C2CCC(C1O)O2)O

InChI

InChI=1S/C8H14O3/c9-5-1-2-6(10)8-4-3-7(5)11-8/h5-10H,1-4H2

InChIKey

GJZQHDOUUCAZHY-UHFFFAOYSA-N

Compound name

9-oxabicyclo[4.2.1]nonane-2,5-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 158.0943 Da
Monoisotopic Mass: 0.0
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]+	159.101576	128.5
[M+Na]+	181.083518	133.2
[M-H]-	157.087024	130.6
[M+NH4]+	176.128123	148.9
[M+K]+	197.057458	135.4
[M+H-H2O]+	141.091560	125.6
[M+HCOO]-	203.092501	144.2
[M+CH3COO]-	217.108151	174.0
[M+Na-2H]-	179.068966	133.6
[M]+	158.09375142	122.8
[M]-	158.09484858	122.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe