CID 105793609

3-(methoxymethyl)oxane-3-carboxylic acid

Structural Information

Molecular Formula
C8H14O4
SMILES
COCC1(CCCOC1)C(=O)O
InChI
InChI=1S/C8H14O4/c1-11-5-8(7(9)10)3-2-4-12-6-8/h2-6H2,1H3,(H,9,10)
InChIKey
HRONHVZZMYFBGE-UHFFFAOYSA-N
Compound name
3-(methoxymethyl)oxane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

174.0892 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.09648 136.2
[M+Na]+ 197.07842 141.3
[M-H]- 173.08192 138.5
[M+NH4]+ 192.12302 156.0
[M+K]+ 213.05236 142.6
[M+H-H2O]+ 157.08646 131.5
[M+HCOO]- 219.08740 154.4
[M+CH3COO]- 233.10305 174.4
[M+Na-2H]- 195.06387 142.6
[M]+ 174.08865 135.0
[M]- 174.08975 135.0
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

No patent data available for this compound.