CID 12363632

3-(5-(methylthio)-2-furyl)-2-propenoic acid

Structural Information

Molecular Formula
C8H8O3S
SMILES
CSC1=CC=C(O1)/C=C/C(=O)O
InChI
InChI=1S/C8H8O3S/c1-12-8-5-3-6(11-8)2-4-7(9)10/h2-5H,1H3,(H,9,10)/b4-2+
InChIKey
KVFUAZGEJVOVTC-DUXPYHPUSA-N
Compound name
(E)-3-(5-methylsulfanylfuran-2-yl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.01941 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.02669 139.3
[M+Na]+ 207.00863 149.3
[M+NH4]+ 202.05323 146.8
[M+K]+ 222.98257 144.6
[M-H]- 183.01213 140.6
[M+Na-2H]- 204.99408 142.0
[M]+ 184.01886 141.3
[M]- 184.01996 141.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.