CID 7017814

832740-66-6

Structural Information

Molecular Formula
C11H10O3S
SMILES
CC1=CC=C(O1)C2=C(C=C(S2)C(=O)O)C
InChI
InChI=1S/C11H10O3S/c1-6-5-9(11(12)13)15-10(6)8-4-3-7(2)14-8/h3-5H,1-2H3,(H,12,13)
InChIKey
ZQZASOZGACCPDV-UHFFFAOYSA-N
Compound name
4-methyl-5-(5-methylfuran-2-yl)thiophene-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.03506 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.04234 147.4
[M+Na]+ 245.02428 159.4
[M+NH4]+ 240.06888 155.7
[M+K]+ 260.99822 156.2
[M-H]- 221.02778 151.1
[M+Na-2H]- 243.00973 152.4
[M]+ 222.03451 150.6
[M]- 222.03561 150.6
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.