CID 97359001

1909287-48-4

Structural Information

Molecular Formula
C5H11NO2S
SMILES
CC1([C@H](CS1(=O)=O)N)C
InChI
InChI=1S/C5H11NO2S/c1-5(2)4(6)3-9(5,7)8/h4H,3,6H2,1-2H3/t4-/m0/s1
InChIKey
XUTLWVYZVWXBEY-BYPYZUCNSA-N
Compound name
(3S)-2,2-dimethyl-1,1-dioxothietan-3-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

149.05106 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.05834 124.3
[M+Na]+ 172.04028 131.8
[M-H]- 148.04378 128.1
[M+NH4]+ 167.08488 142.8
[M+K]+ 188.01422 133.4
[M+H-H2O]+ 132.04832 116.3
[M+HCOO]- 194.04926 141.8
[M+CH3COO]- 208.06491 177.6
[M+Na-2H]- 170.02573 128.7
[M]+ 149.05051 133.9
[M]- 149.05161 133.9
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.