CID 45120303

Heliosit

Structural Information

Molecular Formula
C6H8OS
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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.03687 124.9
[M+Na]+ 151.01881 136.2
[M+NH4]+ 146.06341 136.8
[M+K]+ 166.99275 133.3
[M-H]- 127.02231 134.2
[M+Na-2H]- 149.00426 128.6
[M]+ 128.02904 130.7
[M]- 128.03014 130.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe