CID 13220191

Tetrahydro-2,5-furan-diacetic acid

Structural Information

Molecular Formula
C8H12O5
SMILES
C1CC(OC1CC(=O)O)CC(=O)O
InChI
InChI=1S/C8H12O5/c9-7(10)3-5-1-2-6(13-5)4-8(11)12/h5-6H,1-4H2,(H,9,10)(H,11,12)
InChIKey
CVYAVSIMBYOCGA-UHFFFAOYSA-N
Compound name
2-[5-(carboxymethyl)oxolan-2-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

188.06847 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.07575 139.2
[M+Na]+ 211.05769 144.7
[M-H]- 187.06119 140.3
[M+NH4]+ 206.10229 157.5
[M+K]+ 227.03163 144.9
[M+H-H2O]+ 171.06573 134.4
[M+HCOO]- 233.06667 157.3
[M+CH3COO]- 247.08232 175.5
[M+Na-2H]- 209.04314 140.8
[M]+ 188.06792 138.3
[M]- 188.06902 138.3
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