CID 61658

Furfuryl isovalerate

Structural Information

Molecular Formula
C10H14O3
SMILES
CC(C)CC(=O)OCC1=CC=CO1
InChI
InChI=1S/C10H14O3/c1-8(2)6-10(11)13-7-9-4-3-5-12-9/h3-5,8H,6-7H2,1-2H3
InChIKey
FKGUIBCHHSHJNQ-UHFFFAOYSA-N
Compound name
furan-2-ylmethyl 3-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1
References

103
Patents

182.0943 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.10158 140.0
[M+Na]+ 205.08352 150.1
[M+NH4]+ 200.12812 147.5
[M+K]+ 221.05746 147.5
[M-H]- 181.08702 141.6
[M+Na-2H]- 203.06897 143.9
[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

patents stripe