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

12
Patents

160.07356 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 161.080836 131.8
[M+Na]+ 183.062778 138.2
[M-H]- 159.066284 134.4
[M+NH4]+ 178.107383 154.0
[M+K]+ 199.036718 139.4
[M+H-H2O]+ 143.070820 127.9
[M+HCOO]- 205.071761 152.4
[M+CH3COO]- 219.087411 171.1
[M+Na-2H]- 181.048226 137.5
[M]+ 160.07301142 132.3
[M]- 160.07410858 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