CID 68761037

2-[(4-cyanophenyl)methoxy]acetic acid

Structural Information

Molecular Formula
C10H9NO3
SMILES
C1=CC(=CC=C1COCC(=O)O)C#N
InChI
InChI=1S/C10H9NO3/c11-5-8-1-3-9(4-2-8)6-14-7-10(12)13/h1-4H,6-7H2,(H,12,13)
InChIKey
UAYRPOZAVYTVTP-UHFFFAOYSA-N
Compound name
2-[(4-cyanophenyl)methoxy]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

191.05824 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.065516 140.8
[M+Na]+ 214.047458 150.3
[M-H]- 190.050964 142.9
[M+NH4]+ 209.092063 157.7
[M+K]+ 230.021398 147.6
[M+H-H2O]+ 174.055500 128.6
[M+HCOO]- 236.056441 159.9
[M+CH3COO]- 250.072091 192.5
[M+Na-2H]- 212.032906 145.6
[M]+ 191.05769142 137.2
[M]- 191.05878858 137.2
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