CID 19092031

2-(furan-2-yl)-2-methylpropanoic acid

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

154.06299 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.07027 130.2
[M+Na]+ 177.05221 137.9
[M-H]- 153.05571 133.4
[M+NH4]+ 172.09681 151.0
[M+K]+ 193.02615 138.3
[M+H-H2O]+ 137.06025 126.0
[M+HCOO]- 199.06119 151.7
[M+CH3COO]- 213.07684 172.0
[M+Na-2H]- 175.03766 136.8
[M]+ 154.06244 131.6
[M]- 154.06354 131.7
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