CID 155970442

4-(acetylsulfanyl)oxan-2-one

Structural Information

Molecular Formula
C7H10O3S
SMILES
CC(=O)SC1CCOC(=O)C1
InChI
InChI=1S/C7H10O3S/c1-5(8)11-6-2-3-10-7(9)4-6/h6H,2-4H2,1H3
InChIKey
ZYSDVRZFICBTKO-UHFFFAOYSA-N
Compound name
S-(2-oxooxan-4-yl) ethanethioate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.03506 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.042336 133.9
[M+Na]+ 197.024278 140.3
[M-H]- 173.027784 138.0
[M+NH4]+ 192.068883 153.3
[M+K]+ 212.998218 140.4
[M+H-H2O]+ 157.032320 128.7
[M+HCOO]- 219.033261 148.8
[M+CH3COO]- 233.048911 175.8
[M+Na-2H]- 195.009726 136.2
[M]+ 174.03451142 134.2
[M]- 174.03560858 134.2
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.