CID 74008

Amyl 2-furoate

Structural Information

Molecular Formula
C10H14O3
SMILES
CCCCCOC(=O)C1=CC=CO1
InChI
InChI=1S/C10H14O3/c1-2-3-4-7-13-10(11)9-6-5-8-12-9/h5-6,8H,2-4,7H2,1H3
InChIKey
BGJZMKPSRLHMME-UHFFFAOYSA-N
Compound name
pentyl furan-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

0
References

89
Patents

182.0943 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.10158 140.0
[M+Na]+ 205.08352 150.4
[M+NH4]+ 200.12812 147.5
[M+K]+ 221.05746 146.9
[M-H]- 181.08702 141.7
[M+Na-2H]- 203.06897 144.2
[M]+ 182.09375 141.7
[M]- 182.09485 141.7
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

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