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

35
Patents

128.02959 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.036866 119.6
[M+Na]+ 151.018808 131.3
[M-H]- 127.022314 125.5
[M+NH4]+ 146.063413 142.4
[M+K]+ 166.992748 130.1
[M+H-H2O]+ 111.026850 116.5
[M+HCOO]- 173.027791 135.6
[M+CH3COO]- 187.043441 134.8
[M+Na-2H]- 149.004256 124.9
[M]+ 128.02904142 125.2
[M]- 128.03013858 125.2
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