CID 45120303

Heliosit

Structural Information

Molecular Formula

SMILES

C1CC2C3C(C1S2)O3

InChI

InChI=1S/C6H8OS/c1-2-4-6-5(7-6)3(1)8-4/h3-6H,1-2H2

InChIKey

ZKOOFIUZDXQDNX-UHFFFAOYSA-N

Compound name

3-oxa-8-thiatricyclo[3.2.1.02,4]octane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 60
References: 25
Patents: 128.02959 Da
Monoisotopic Mass: 1.0
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]+	129.03687	119.6
[M+Na]+	151.01881	131.3
[M-H]-	127.02231	125.5
[M+NH4]+	146.06341	142.4
[M+K]+	166.99275	130.1
[M+H-H2O]+	111.02685	116.5
[M+HCOO]-	173.02779	135.6
[M+CH3COO]-	187.04344	134.8
[M+Na-2H]-	149.00426	124.9
[M]+	128.02904	125.2
[M]-	128.03014	125.2

Literature stripe

literature stripe

Patent stripe

patents stripe