CID 19790846

2-(furan-2-yl)-3-methylbutanoic acid

Structural Information

Molecular Formula
C9H12O3
SMILES
CC(C)C(C1=CC=CO1)C(=O)O
InChI
InChI=1S/C9H12O3/c1-6(2)8(9(10)11)7-4-3-5-12-7/h3-6,8H,1-2H3,(H,10,11)
InChIKey
NWVJCTJHXGGBBV-UHFFFAOYSA-N
Compound name
2-(furan-2-yl)-3-methylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

168.07864 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.08592 136.1
[M+Na]+ 191.06786 145.5
[M+NH4]+ 186.11246 143.2
[M+K]+ 207.04180 144.2
[M-H]- 167.07136 136.9
[M+Na-2H]- 189.05331 139.3
[M]+ 168.07809 137.4
[M]- 168.07919 137.4
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