CID 2980768

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

Structural Information

Molecular Formula
C11H11NO4
SMILES
CCOC1=C(C=CC(=C1)C#N)OCC(=O)O
InChI
InChI=1S/C11H11NO4/c1-2-15-10-5-8(6-12)3-4-9(10)16-7-11(13)14/h3-5H,2,7H2,1H3,(H,13,14)
InChIKey
WJYZBSJPALPIQX-UHFFFAOYSA-N
Compound name
2-(4-cyano-2-ethoxyphenoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

221.0688 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.07608 146.2
[M+Na]+ 244.05802 155.9
[M-H]- 220.06152 148.5
[M+NH4]+ 239.10262 162.2
[M+K]+ 260.03196 153.8
[M+H-H2O]+ 204.06606 133.8
[M+HCOO]- 266.06700 165.2
[M+CH3COO]- 280.08265 198.2
[M+Na-2H]- 242.04347 150.0
[M]+ 221.06825 144.6
[M]- 221.06935 144.6
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