CID 138050

2,2-dimethylthiirane

Structural Information

Molecular Formula
C4H8S
SMILES
CC1(CS1)C
InChI
InChI=1S/C4H8S/c1-4(2)3-5-4/h3H2,1-2H3
InChIKey
HGJOFJDIHKHKAU-UHFFFAOYSA-N
Compound name
2,2-dimethylthiirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

425
Patents

88.03467 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 89.041946 111.3
[M+Na]+ 111.02389 121.6
[M-H]- 87.027394 116.8
[M+NH4]+ 106.06849 132.6
[M+K]+ 126.99783 121.4
[M+H-H2O]+ 71.031930 107.0
[M+HCOO]- 133.03287 130.5
[M+CH3COO]- 147.04852 167.4
[M+Na-2H]- 109.00934 117.8
[M]+ 88.034121 115.3
[M]- 88.035219 115.3
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