CID 565211

20279-53-2

Structural Information

Molecular Formula
C9H12O3
SMILES
CC(C)COC(=O)C1=CC=CO1
InChI
InChI=1S/C9H12O3/c1-7(2)6-12-9(10)8-4-3-5-11-8/h3-5,7H,6H2,1-2H3
InChIKey
HREPSLLONKRVKD-UHFFFAOYSA-N
Compound name
2-methylpropyl furan-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

168.07864 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.085916 135.8
[M+Na]+ 191.067858 143.0
[M-H]- 167.071364 140.1
[M+NH4]+ 186.112463 156.7
[M+K]+ 207.041798 144.1
[M+H-H2O]+ 151.075900 130.6
[M+HCOO]- 213.076841 159.1
[M+CH3COO]- 227.092491 177.6
[M+Na-2H]- 189.053306 140.3
[M]+ 168.07809142 139.3
[M]- 168.07918858 139.3
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