CID 20119845

2-(2-cyanophenoxy)propanoic acid

Structural Information

Molecular Formula
C10H9NO3
SMILES
CC(C(=O)O)OC1=CC=CC=C1C#N
InChI
InChI=1S/C10H9NO3/c1-7(10(12)13)14-9-5-3-2-4-8(9)6-11/h2-5,7H,1H3,(H,12,13)
InChIKey
YLFLLMBBLIDQNI-UHFFFAOYSA-N
Compound name
2-(2-cyanophenoxy)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

191.05824 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.065516 141.9
[M+Na]+ 214.047458 151.2
[M-H]- 190.050964 144.2
[M+NH4]+ 209.092063 158.8
[M+K]+ 230.021398 149.0
[M+H-H2O]+ 174.055500 129.8
[M+HCOO]- 236.056441 160.2
[M+CH3COO]- 250.072091 193.3
[M+Na-2H]- 212.032906 145.5
[M]+ 191.05769142 137.8
[M]- 191.05878858 137.8
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