CID 13859

1,3,2-dioxathiane, 4,4-dimethyl-, 2-oxide

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

2
Patents

150.03506 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.042336 124.2
[M+Na]+ 173.024278 132.3
[M-H]- 149.027784 129.6
[M+NH4]+ 168.068883 145.5
[M+K]+ 188.998218 134.4
[M+H-H2O]+ 133.032320 120.3
[M+HCOO]- 195.033261 139.8
[M+CH3COO]- 209.048911 170.3
[M+Na-2H]- 171.009726 131.1
[M]+ 150.03451142 126.1
[M]- 150.03560858 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