CID 13859

Brn 1237699

Structural Information

Molecular Formula
C5H10O3S
SMILES
CC1(CCOS(=O)O1)C
InChI
InChI=1S/C5H10O3S/c1-5(2)3-4-7-9(6)8-5/h3-4H2,1-2H3
InChIKey
ZCWRAERLSMTDHH-UHFFFAOYSA-N
Compound name
4,4-dimethyl-1,3,2-dioxathiane 2-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

150.03506 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.04234 124.2
[M+Na]+ 173.02428 132.3
[M-H]- 149.02778 129.6
[M+NH4]+ 168.06888 145.5
[M+K]+ 188.99822 134.4
[M+H-H2O]+ 133.03232 120.3
[M+HCOO]- 195.03326 139.8
[M+CH3COO]- 209.04891 170.3
[M+Na-2H]- 171.00973 131.1
[M]+ 150.03451 126.1
[M]- 150.03561 126.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe