CID 113313

63512-53-8

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]+ 216.10528 148.6
[M+Na]+ 238.08722 156.3
[M-H]- 214.09072 151.3
[M+NH4]+ 233.13182 167.4
[M+K]+ 254.06116 154.6
[M+H-H2O]+ 198.09526 142.9
[M+HCOO]- 260.09620 164.2
[M+CH3COO]- 274.11185 186.1
[M+Na-2H]- 236.07267 148.1
[M]+ 215.09745 152.3
[M]- 215.09855 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.