CID 6507248

3-thiahexan-2-one, o-(methylcarbamoyl)oxime

Structural Information

Molecular Formula
C7H14N2O2S
SMILES
CCCS/C(=N\OC(=O)NC)/C
InChI
InChI=1S/C7H14N2O2S/c1-4-5-12-6(2)9-11-7(10)8-3/h4-5H2,1-3H3,(H,8,10)/b9-6-
InChIKey
ZCACJKWKIJNEKZ-TWGQIWQCSA-N
Compound name
propyl (1Z)-N-(methylcarbamoyloxy)ethanimidothioate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

190.0776 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.084876 142.7
[M+Na]+ 213.066818 148.3
[M-H]- 189.070324 144.3
[M+NH4]+ 208.111423 162.9
[M+K]+ 229.040758 147.9
[M+H-H2O]+ 173.074860 136.4
[M+HCOO]- 235.075801 162.8
[M+CH3COO]- 249.091451 187.5
[M+Na-2H]- 211.052266 144.5
[M]+ 190.07705142 146.4
[M]- 190.07814858 146.4
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.