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

5
Patents

221.0688 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.076076 146.2
[M+Na]+ 244.058018 155.9
[M-H]- 220.061524 148.5
[M+NH4]+ 239.102623 162.2
[M+K]+ 260.031958 153.8
[M+H-H2O]+ 204.066060 133.8
[M+HCOO]- 266.067001 165.2
[M+CH3COO]- 280.082651 198.2
[M+Na-2H]- 242.043466 150.0
[M]+ 221.06825142 144.6
[M]- 221.06934858 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