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

4
Patents

154.06299 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.070266 130.2
[M+Na]+ 177.052208 137.9
[M-H]- 153.055714 133.4
[M+NH4]+ 172.096813 151.0
[M+K]+ 193.026148 138.3
[M+H-H2O]+ 137.060250 126.0
[M+HCOO]- 199.061191 151.7
[M+CH3COO]- 213.076841 172.0
[M+Na-2H]- 175.037656 136.8
[M]+ 154.06244142 131.6
[M]- 154.06353858 131.6
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

patents stripe