CID 2801238

2-(4-cyanophenoxy)-2-methylpropanoic acid

Structural Information

Molecular Formula
C11H11NO3
SMILES
CC(C)(C(=O)O)OC1=CC=C(C=C1)C#N
InChI
InChI=1S/C11H11NO3/c1-11(2,10(13)14)15-9-5-3-8(7-12)4-6-9/h3-6H,1-2H3,(H,13,14)
InChIKey
GBGYSMXMZDBILF-UHFFFAOYSA-N
Compound name
2-(4-cyanophenoxy)-2-methylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

105
Patents

205.0739 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.08118 148.0
[M+Na]+ 228.06312 157.3
[M-H]- 204.06662 150.3
[M+NH4]+ 223.10772 164.5
[M+K]+ 244.03706 155.1
[M+H-H2O]+ 188.07116 136.2
[M+HCOO]- 250.07210 165.4
[M+CH3COO]- 264.08775 195.5
[M+Na-2H]- 226.04857 152.7
[M]+ 205.07335 144.3
[M]- 205.07445 144.3
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