CID 83600268

2,5-bis(propan-2-yl)furan-3-carboxylic acid

Structural Information

Molecular Formula
C11H16O3
SMILES
CC(C)C1=CC(=C(O1)C(C)C)C(=O)O
InChI
InChI=1S/C11H16O3/c1-6(2)9-5-8(11(12)13)10(14-9)7(3)4/h5-7H,1-4H3,(H,12,13)
InChIKey
MRCUTSKFVSDVES-UHFFFAOYSA-N
Compound name
2,5-di(propan-2-yl)furan-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

196.10994 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.11722 144.1
[M+Na]+ 219.09916 153.8
[M+NH4]+ 214.14376 150.9
[M+K]+ 235.07310 152.5
[M-H]- 195.10266 145.0
[M+Na-2H]- 217.08461 146.3
[M]+ 196.10939 145.5
[M]- 196.11049 145.5
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