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

10
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 131.8
[M+Na]+ 183.06278 138.2
[M-H]- 159.06628 134.4
[M+NH4]+ 178.10738 154.0
[M+K]+ 199.03672 139.4
[M+H-H2O]+ 143.07082 127.9
[M+HCOO]- 205.07176 152.4
[M+CH3COO]- 219.08741 171.1
[M+Na-2H]- 181.04823 137.5
[M]+ 160.07301 132.3
[M]- 160.07411 132.3
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