CID 10103574

Methyl 3-(furan-3-yl)-3-hydroxypropanoate

Structural Information

Molecular Formula
C8H10O4
SMILES
COC(=O)CC(C1=COC=C1)O
InChI
InChI=1S/C8H10O4/c1-11-8(10)4-7(9)6-2-3-12-5-6/h2-3,5,7,9H,4H2,1H3
InChIKey
KMIQGRICEXOWGC-UHFFFAOYSA-N
Compound name
methyl 3-(furan-3-yl)-3-hydroxypropanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

170.0579 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.065176 134.6
[M+Na]+ 193.047118 141.6
[M-H]- 169.050624 137.6
[M+NH4]+ 188.091723 154.5
[M+K]+ 209.021058 142.5
[M+H-H2O]+ 153.055160 129.4
[M+HCOO]- 215.056101 156.8
[M+CH3COO]- 229.071751 174.0
[M+Na-2H]- 191.032566 139.1
[M]+ 170.05735142 137.2
[M]- 170.05844858 137.2
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