CID 16718874

3-(2-methoxyethoxy)propanoic acid

Structural Information

Molecular Formula
C6H12O4
SMILES
COCCOCCC(=O)O
InChI
InChI=1S/C6H12O4/c1-9-4-5-10-3-2-6(7)8/h2-5H2,1H3,(H,7,8)
InChIKey
KWMXBFIAGYXCCC-UHFFFAOYSA-N
Compound name
3-(2-methoxyethoxy)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

466
Patents

148.07356 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.08084 129.9
[M+Na]+ 171.06278 136.6
[M-H]- 147.06628 128.7
[M+NH4]+ 166.10738 150.4
[M+K]+ 187.03672 137.2
[M+H-H2O]+ 131.07082 125.1
[M+HCOO]- 193.07176 152.3
[M+CH3COO]- 207.08741 172.4
[M+Na-2H]- 169.04823 135.2
[M]+ 148.07301 133.7
[M]- 148.07411 133.7
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