CID 113313

4-oxazolidinone, 3-heptyl-2-thioxo-

Structural Information

Molecular Formula
C10H17NO2S
SMILES
CCCCCCCN1C(=O)COC1=S
InChI
InChI=1S/C10H17NO2S/c1-2-3-4-5-6-7-11-9(12)8-13-10(11)14/h2-8H2,1H3
InChIKey
NSFWJZWXHLAUMO-UHFFFAOYSA-N
Compound name
3-heptyl-2-sulfanylidene-1,3-oxazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.098 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.105276 148.6
[M+Na]+ 238.087218 156.3
[M-H]- 214.090724 151.3
[M+NH4]+ 233.131823 167.4
[M+K]+ 254.061158 154.6
[M+H-H2O]+ 198.095260 142.9
[M+HCOO]- 260.096201 164.2
[M+CH3COO]- 274.111851 186.1
[M+Na-2H]- 236.072666 148.1
[M]+ 215.09745142 152.3
[M]- 215.09854858 152.3
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.