CID 10329726

Methyl 3-(furan-2-yl)-3-hydroxypropanoate

Structural Information

Molecular Formula
C8H10O4
SMILES
COC(=O)CC(C1=CC=CO1)O
InChI
InChI=1S/C8H10O4/c1-11-8(10)5-6(9)7-3-2-4-12-7/h2-4,6,9H,5H2,1H3
InChIKey
CYDSWDGDMBSFJY-UHFFFAOYSA-N
Compound name
methyl 3-(furan-2-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]+ 171.06518 134.6
[M+Na]+ 193.04712 141.6
[M-H]- 169.05062 137.6
[M+NH4]+ 188.09172 154.5
[M+K]+ 209.02106 142.5
[M+H-H2O]+ 153.05516 129.4
[M+HCOO]- 215.05610 156.8
[M+CH3COO]- 229.07175 174.0
[M+Na-2H]- 191.03257 139.1
[M]+ 170.05735 137.2
[M]- 170.05845 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