CID 16495629

2-(2-formyl-5-methoxyphenoxy)acetic acid

Structural Information

Molecular Formula
C10H10O5
SMILES
COC1=CC(=C(C=C1)C=O)OCC(=O)O
InChI
InChI=1S/C10H10O5/c1-14-8-3-2-7(5-11)9(4-8)15-6-10(12)13/h2-5H,6H2,1H3,(H,12,13)
InChIKey
SWNDMJNDLFDYQW-UHFFFAOYSA-N
Compound name
2-(2-formyl-5-methoxyphenoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

210.05283 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.06011 140.4
[M+Na]+ 233.04205 148.8
[M-H]- 209.04555 143.1
[M+NH4]+ 228.08665 158.6
[M+K]+ 249.01599 147.8
[M+H-H2O]+ 193.05009 134.5
[M+HCOO]- 255.05103 163.6
[M+CH3COO]- 269.06668 183.5
[M+Na-2H]- 231.02750 145.1
[M]+ 210.05228 144.8
[M]- 210.05338 144.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe