CID 300306

2,2-dimethylthietane 1,1-dioxide

Structural Information

Molecular Formula
C5H10O2S
SMILES
CC1(CCS1(=O)=O)C
InChI
InChI=1S/C5H10O2S/c1-5(2)3-4-8(5,6)7/h3-4H2,1-2H3
InChIKey
OKSSCBJEVRRKCH-UHFFFAOYSA-N
Compound name
2,2-dimethylthietane 1,1-dioxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

134.04015 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.04743 118.1
[M+Na]+ 157.02937 126.1
[M-H]- 133.03287 122.6
[M+NH4]+ 152.07397 137.8
[M+K]+ 173.00331 128.2
[M+H-H2O]+ 117.03741 110.8
[M+HCOO]- 179.03835 135.7
[M+CH3COO]- 193.05400 172.6
[M+Na-2H]- 155.01482 124.1
[M]+ 134.03960 129.3
[M]- 134.04070 129.3
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