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]+ 305.10198 166.4
[M+Na]+ 327.08392 172.4
[M-H]- 303.08742 171.8
[M+NH4]+ 322.12852 180.0
[M+K]+ 343.05786 171.5
[M+H-H2O]+ 287.09196 158.2
[M+HCOO]- 349.09290 187.9
[M+CH3COO]- 363.10855 201.2
[M+Na-2H]- 325.06937 169.2
[M]+ 304.09415 171.7
[M]- 304.09525 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.