CID 23532951

494210-61-6

Structural Information

Molecular Formula
C6H10O3S
SMILES
C1CS(=O)(=O)CCC1C=O
InChI
InChI=1S/C6H10O3S/c7-5-6-1-3-10(8,9)4-2-6/h5-6H,1-4H2
InChIKey
MKNUBLDIUFQXPI-UHFFFAOYSA-N
Compound name
1,1-dioxothiane-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

93
Patents

162.03506 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 163.04234 128.3
[M+Na]+ 185.02428 136.3
[M-H]- 161.02778 132.0
[M+NH4]+ 180.06888 151.4
[M+K]+ 200.99822 134.9
[M+H-H2O]+ 145.03232 124.2
[M+HCOO]- 207.03326 145.4
[M+CH3COO]- 221.04891 171.5
[M+Na-2H]- 183.00973 132.7
[M]+ 162.03451 128.1
[M]- 162.03561 128.1
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

No patent data available for this compound.