CID 9865

Thiirane

Structural Information

Molecular Formula
C2H4S
SMILES
C1CS1
InChI
InChI=1S/C2H4S/c1-2-3-1/h1-2H2
InChIKey
VOVUARRWDCVURC-UHFFFAOYSA-N
Compound name
thiirane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

108
References

32873
Patents

60.003372 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 61.010648 103.4
[M+Na]+ 82.992590 113.3
[M-H]- 58.996096 108.7
[M+NH4]+ 78.037195 123.7
[M+K]+ 98.966530 112.8
[M+H-H2O]+ 43.000632 98.1
[M+HCOO]- 105.00157 123.7
[M+CH3COO]- 119.01722 161.1
[M+Na-2H]- 80.978038 110.4
[M]+ 60.002823 106.0
[M]- 60.003921 106.0
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