CID 1220958

2-(4-cyano-2-methoxyphenoxy)acetic acid

Structural Information

Molecular Formula
C10H9NO4
SMILES
COC1=C(C=CC(=C1)C#N)OCC(=O)O
InChI
InChI=1S/C10H9NO4/c1-14-9-4-7(5-11)2-3-8(9)15-6-10(12)13/h2-4H,6H2,1H3,(H,12,13)
InChIKey
GNPBJHOKFMAJDI-UHFFFAOYSA-N
Compound name
2-(4-cyano-2-methoxyphenoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

207.05316 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 208.060436 142.1
[M+Na]+ 230.042378 152.2
[M-H]- 206.045884 144.6
[M+NH4]+ 225.086983 158.7
[M+K]+ 246.016318 150.4
[M+H-H2O]+ 190.050420 130.0
[M+HCOO]- 252.051361 161.5
[M+CH3COO]- 266.067011 195.5
[M+Na-2H]- 228.027826 146.5
[M]+ 207.05261142 140.3
[M]- 207.05370858 140.3
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