CID 11768780

2-(propan-2-yl)furan-3-carboxylic acid

Structural Information

Molecular Formula
C8H10O3
SMILES
CC(C)C1=C(C=CO1)C(=O)O
InChI
InChI=1S/C8H10O3/c1-5(2)7-6(8(9)10)3-4-11-7/h3-5H,1-2H3,(H,9,10)
InChIKey
HIPLOIXCLUJDOD-UHFFFAOYSA-N
Compound name
2-propan-2-ylfuran-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

154.06299 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.07027 130.7
[M+Na]+ 177.05221 138.7
[M-H]- 153.05571 134.1
[M+NH4]+ 172.09681 151.6
[M+K]+ 193.02615 139.0
[M+H-H2O]+ 137.06025 126.1
[M+HCOO]- 199.06119 152.7
[M+CH3COO]- 213.07684 173.7
[M+Na-2H]- 175.03766 134.5
[M]+ 154.06244 132.3
[M]- 154.06354 132.3
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