CID 20560364

13678-61-0

Structural Information

Molecular Formula
C10H14O3
SMILES
CCC(C)C(=O)OCC1=CC=CO1
InChI
InChI=1S/C10H14O3/c1-3-8(2)10(11)13-7-9-5-4-6-12-9/h4-6,8H,3,7H2,1-2H3
InChIKey
FWHTZOMSKMABHQ-UHFFFAOYSA-N
Compound name
furan-2-ylmethyl 2-methylbutanoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

13
Patents

182.0943 Da
Monoisotopic Mass

2.1
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

No literature data available for this compound.

Patent stripe

patents stripe