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]+ 146.06342 129.3
[M+Na]+ 168.04536 134.2
[M-H]- 144.04886 132.4
[M+NH4]+ 163.08996 149.0
[M+K]+ 184.01930 133.5
[M+H-H2O]+ 128.05340 123.7
[M+HCOO]- 190.05434 144.0
[M+CH3COO]- 204.06999 173.2
[M+Na-2H]- 166.03081 131.8
[M]+ 145.05559 124.8
[M]- 145.05669 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.