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

7
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 110.3
[M+Na]+ 111.02389 121.0
[M-H]- 87.027394 115.9
[M+NH4]+ 106.06849 130.1
[M+K]+ 126.99783 119.6
[M+H-H2O]+ 71.031930 105.1
[M+HCOO]- 133.03287 129.8
[M+CH3COO]- 147.04852 168.8
[M+Na-2H]- 109.00934 115.0
[M]+ 88.034121 114.3
[M]- 88.035219 114.3
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

patents stripe