CID 80053

Cis-2,3-dimethylthiirane

Structural Information

Molecular Formula
C4H8S
SMILES
C[C@@H]1[C@@H](S1)C
InChI
InChI=1S/C4H8S/c1-3-4(2)5-3/h3-4H,1-2H3/t3-,4+
InChIKey
ZMJBHCIEMIVIFZ-ZXZARUISSA-N
Compound name
(2S,3R)-2,3-dimethylthiirane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

4
Patents

88.03467 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 89.041946 115.8
[M+Na]+ 111.02389 128.9
[M+NH4]+ 106.06849 126.7
[M+K]+ 126.99783 122.6
[M-H]- 87.027394 124.9
[M+Na-2H]- 109.00934 124.0
[M]+ 88.034121 121.8
[M]- 88.035219 121.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

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