CID 11469583

(z)-5-[(5-methyl-2-thienyl)methylene]-2(5h)-furanone

Structural Information

Molecular Formula
C10H8O2S
SMILES
CC1=CC=C(S1)/C=C/2\C=CC(=O)O2
InChI
InChI=1S/C10H8O2S/c1-7-2-4-9(13-7)6-8-3-5-10(11)12-8/h2-6H,1H3/b8-6+
InChIKey
YBBZWBTVSIDANF-SOFGYWHQSA-N
Compound name
(5E)-5-[(5-methylthiophen-2-yl)methylidene]furan-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

192.0245 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.03178 140.1
[M+Na]+ 215.01372 150.7
[M-H]- 191.01722 148.9
[M+NH4]+ 210.05832 163.1
[M+K]+ 230.98766 148.8
[M+H-H2O]+ 175.02176 136.0
[M+HCOO]- 237.02270 161.1
[M+CH3COO]- 251.03835 178.4
[M+Na-2H]- 212.99917 140.7
[M]+ 192.02395 143.4
[M]- 192.02505 143.4
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.