CID 18463

278-74-0

Structural Information

Molecular Formula

C₇H₁₀O

SMILES

C1CC2CC1C3C2O3

InChI

InChI=1S/C7H10O/c1-2-5-3-4(1)6-7(5)8-6/h4-7H,1-3H2

InChIKey

OHNNZOOGWXZCPZ-UHFFFAOYSA-N

Compound name

3-oxatricyclo[3.2.1.02,4]octane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 2310
Patents: 110.073166 Da
Monoisotopic Mass: 1.1
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]+	111.08044	120.3
[M+Na]+	133.06238	131.2
[M-H]-	109.06589	125.8
[M+NH4]+	128.10699	142.9
[M+K]+	149.03632	129.4
[M+H-H2O]+	93.070426	116.5
[M+HCOO]-	155.07137	140.5
[M+CH3COO]-	169.08702	135.3
[M+Na-2H]-	131.04783	127.7
[M]+	110.07262	123.4
[M]-	110.07371	123.4

Literature stripe

literature stripe

Patent stripe

patents stripe