CID 171401

2,2-dimethylthietane

Structural Information

Molecular Formula
C5H10S
SMILES
CC1(CCS1)C
InChI
InChI=1S/C5H10S/c1-5(2)3-4-6-5/h3-4H2,1-2H3
InChIKey
OJMSFYDWZDKGJI-UHFFFAOYSA-N
Compound name
2,2-dimethylthietane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

110
Patents

102.05032 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 103.05760 113.4
[M+Na]+ 125.03954 119.9
[M-H]- 101.04304 117.5
[M+NH4]+ 120.08414 132.5
[M+K]+ 141.01348 122.2
[M+H-H2O]+ 85.047580 104.8
[M+HCOO]- 147.04852 130.5
[M+CH3COO]- 161.06417 169.7
[M+Na-2H]- 123.02499 118.7
[M]+ 102.04977 122.4
[M]- 102.05087 122.4
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