CID 2796026

2-methyl-5-(2-thienyl)-3-furancarboxylic acid

Structural Information

Molecular Formula
C10H8O3S
SMILES
CC1=C(C=C(O1)C2=CC=CS2)C(=O)O
InChI
InChI=1S/C10H8O3S/c1-6-7(10(11)12)5-8(13-6)9-3-2-4-14-9/h2-5H,1H3,(H,11,12)
InChIKey
YXDCRSXNEOKXDE-UHFFFAOYSA-N
Compound name
2-methyl-5-thiophen-2-ylfuran-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

77
Patents

208.01941 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.02669 142.4
[M+Na]+ 231.00863 153.6
[M-H]- 207.01213 150.6
[M+NH4]+ 226.05323 164.0
[M+K]+ 246.98257 152.0
[M+H-H2O]+ 191.01667 138.3
[M+HCOO]- 253.01761 163.7
[M+CH3COO]- 267.03326 179.6
[M+Na-2H]- 228.99408 143.4
[M]+ 208.01886 148.2
[M]- 208.01996 148.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe