CID 63738216

Oxane-3-carbothioamide

Structural Information

Molecular Formula
C6H11NOS
SMILES
C1CC(COC1)C(=S)N
InChI
InChI=1S/C6H11NOS/c7-6(9)5-2-1-3-8-4-5/h5H,1-4H2,(H2,7,9)
InChIKey
JBSKGZNFFRJFSB-UHFFFAOYSA-N
Compound name
oxane-3-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

145.05614 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 146.063416 129.3
[M+Na]+ 168.045358 134.2
[M-H]- 144.048864 132.4
[M+NH4]+ 163.089963 149.0
[M+K]+ 184.019298 133.5
[M+H-H2O]+ 128.053400 123.7
[M+HCOO]- 190.054341 144.0
[M+CH3COO]- 204.069991 173.2
[M+Na-2H]- 166.030806 131.8
[M]+ 145.05559142 124.8
[M]- 145.05668858 124.8
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.