CID 9251

Thietane

Structural Information

Molecular Formula
C3H6S
SMILES
C1CSC1
InChI
InChI=1S/C3H6S/c1-2-4-3-1/h1-3H2
InChIKey
XSROQCDVUIHRSI-UHFFFAOYSA-N
Compound name
thietane
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

15
References

32241
Patents

74.01902 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 75.026296 103.3
[M+Na]+ 97.008238 109.0
[M-H]- 73.011744 107.0
[M+NH4]+ 92.052843 121.2
[M+K]+ 112.98218 111.9
[M+H-H2O]+ 57.016280 93.5
[M+HCOO]- 119.01722 121.1
[M+CH3COO]- 133.03287 163.3
[M+Na-2H]- 94.993686 109.1
[M]+ 74.018471 110.9
[M]- 74.019569 110.9
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