CID 23087892

3-methoxy-2-(methoxymethyl)propanoic acid

Structural Information

Molecular Formula
C6H12O4
SMILES
COCC(COC)C(=O)O
InChI
InChI=1S/C6H12O4/c1-9-3-5(4-10-2)6(7)8/h5H,3-4H2,1-2H3,(H,7,8)
InChIKey
XMVOMXPYRCBCNQ-UHFFFAOYSA-N
Compound name
3-methoxy-2-(methoxymethyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

148.07356 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.08084 130.2
[M+Na]+ 171.06278 136.7
[M-H]- 147.06628 129.1
[M+NH4]+ 166.10738 150.7
[M+K]+ 187.03672 137.8
[M+H-H2O]+ 131.07082 125.6
[M+HCOO]- 193.07176 151.7
[M+CH3COO]- 207.08741 173.3
[M+Na-2H]- 169.04823 134.3
[M]+ 148.07301 133.4
[M]- 148.07411 133.4
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