CID 118540261

2-(methoxymethyl)oxolane-2-carboxylic acid

Structural Information

Molecular Formula
C7H12O4
SMILES
COCC1(CCCO1)C(=O)O
InChI
InChI=1S/C7H12O4/c1-10-5-7(6(8)9)3-2-4-11-7/h2-5H2,1H3,(H,8,9)
InChIKey
TXQUMVNVQOBYDT-UHFFFAOYSA-N
Compound name
2-(methoxymethyl)oxolane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

160.07356 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.08084 133.1
[M+Na]+ 183.06278 141.3
[M+NH4]+ 178.10738 141.4
[M+K]+ 199.03672 138.1
[M-H]- 159.06628 133.4
[M+Na-2H]- 181.04823 136.8
[M]+ 160.07301 134.1
[M]- 160.07411 134.1
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