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]+ 192.06552 141.9
[M+Na]+ 214.04746 151.2
[M-H]- 190.05096 144.2
[M+NH4]+ 209.09206 158.8
[M+K]+ 230.02140 149.0
[M+H-H2O]+ 174.05550 129.8
[M+HCOO]- 236.05644 160.2
[M+CH3COO]- 250.07209 193.3
[M+Na-2H]- 212.03291 145.5
[M]+ 191.05769 137.8
[M]- 191.05879 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