CID 263167

Methyl 3-(2-furyl)propanoate

Structural Information

Molecular Formula
C8H10O3
SMILES
COC(=O)CCC1=CC=CO1
InChI
InChI=1S/C8H10O3/c1-10-8(9)5-4-7-3-2-6-11-7/h2-3,6H,4-5H2,1H3
InChIKey
UXHQPGLQTVKTBI-UHFFFAOYSA-N
Compound name
methyl 3-(furan-2-yl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

42
Patents

154.06299 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.07027 130.5
[M+Na]+ 177.05221 138.3
[M-H]- 153.05571 134.8
[M+NH4]+ 172.09681 152.0
[M+K]+ 193.02615 139.2
[M+H-H2O]+ 137.06025 125.3
[M+HCOO]- 199.06119 155.1
[M+CH3COO]- 213.07684 173.7
[M+Na-2H]- 175.03766 136.7
[M]+ 154.06244 134.2
[M]- 154.06354 134.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe