CID 57360895

Ethyl 2-(thietan-3-ylidene)acetate

Structural Information

Molecular Formula
C7H10O2S
SMILES
CCOC(=O)C=C1CSC1
InChI
InChI=1S/C7H10O2S/c1-2-9-7(8)3-6-4-10-5-6/h3H,2,4-5H2,1H3
InChIKey
YCIMIBQKAIDZFE-UHFFFAOYSA-N
Compound name
ethyl 2-(thietan-3-ylidene)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

158.04015 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.04743 128.1
[M+Na]+ 181.02937 132.8
[M-H]- 157.03287 131.3
[M+NH4]+ 176.07397 142.6
[M+K]+ 197.00331 134.7
[M+H-H2O]+ 141.03741 117.2
[M+HCOO]- 203.03835 144.2
[M+CH3COO]- 217.05400 177.3
[M+Na-2H]- 179.01482 129.8
[M]+ 158.03960 138.0
[M]- 158.04070 138.0
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

patents stripe