CID 83680955

4-isocyanatothiane

Structural Information

Molecular Formula
C6H9NOS
SMILES
C1CSCCC1N=C=O
InChI
InChI=1S/C6H9NOS/c8-5-7-6-1-3-9-4-2-6/h6H,1-4H2
InChIKey
CHLFSORNTZBSON-UHFFFAOYSA-N
Compound name
4-isocyanatothiane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

143.04048 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.04776 128.5
[M+Na]+ 166.02970 138.6
[M+NH4]+ 161.07430 138.1
[M+K]+ 182.00364 130.2
[M-H]- 142.03320 131.5
[M+Na-2H]- 164.01515 134.0
[M]+ 143.03993 131.0
[M]- 143.04103 131.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.