CID 34705

Bis(o-methoxyphenoxy)acetic acid

Structural Information

Molecular Formula
C16H16O6
SMILES
COC1=CC=CC=C1OC(C(=O)O)OC2=CC=CC=C2OC
InChI
InChI=1S/C16H16O6/c1-19-11-7-3-5-9-13(11)21-16(15(17)18)22-14-10-6-4-8-12(14)20-2/h3-10,16H,1-2H3,(H,17,18)
InChIKey
NYNXOFWTDABETP-UHFFFAOYSA-N
Compound name
2,2-bis(2-methoxyphenoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.0947 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.101976 166.4
[M+Na]+ 327.083918 172.4
[M-H]- 303.087424 171.8
[M+NH4]+ 322.128523 180.0
[M+K]+ 343.057858 171.5
[M+H-H2O]+ 287.091960 158.2
[M+HCOO]- 349.092901 187.9
[M+CH3COO]- 363.108551 201.2
[M+Na-2H]- 325.069366 169.2
[M]+ 304.09415142 171.7
[M]- 304.09524858 171.7
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

No patent data available for this compound.