CID 131751114

5-(2-methylpropyl)tetrahydro-2-oxo-3-furancarboxylic acid

Structural Information

Molecular Formula
C9H14O4
SMILES
CC(C)CC1CC(C(=O)O1)C(=O)O
InChI
InChI=1S/C9H14O4/c1-5(2)3-6-4-7(8(10)11)9(12)13-6/h5-7H,3-4H2,1-2H3,(H,10,11)
InChIKey
ODKYFEYTVOPOOV-UHFFFAOYSA-N
Compound name
5-(2-methylpropyl)-2-oxooxolane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

186.0892 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.09648 139.6
[M+Na]+ 209.07842 146.2
[M-H]- 185.08192 142.4
[M+NH4]+ 204.12302 159.2
[M+K]+ 225.05236 146.6
[M+H-H2O]+ 169.08646 135.1
[M+HCOO]- 231.08740 158.7
[M+CH3COO]- 245.10305 180.1
[M+Na-2H]- 207.06387 140.5
[M]+ 186.08865 139.9
[M]- 186.08975 139.9
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