CID 86775584

4-methoxyoxane-4-carbothioamide

Structural Information

Molecular Formula
C7H13NO2S
SMILES
COC1(CCOCC1)C(=S)N
InChI
InChI=1S/C7H13NO2S/c1-9-7(6(8)11)2-4-10-5-3-7/h2-5H2,1H3,(H2,8,11)
InChIKey
CTWGYVSFNXIQQQ-UHFFFAOYSA-N
Compound name
4-methoxyoxane-4-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

175.0667 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.07398 136.8
[M+Na]+ 198.05592 145.4
[M+NH4]+ 193.10052 146.5
[M+K]+ 214.02986 137.4
[M-H]- 174.05942 139.7
[M+Na-2H]- 196.04137 141.6
[M]+ 175.06615 139.2
[M]- 175.06725 139.2
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.