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

9
Patents

191.05824 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.06552 140.8
[M+Na]+ 214.04746 150.3
[M-H]- 190.05096 142.9
[M+NH4]+ 209.09206 157.7
[M+K]+ 230.02140 147.6
[M+H-H2O]+ 174.05550 128.6
[M+HCOO]- 236.05644 159.9
[M+CH3COO]- 250.07209 192.5
[M+Na-2H]- 212.03291 145.6
[M]+ 191.05769 137.2
[M]- 191.05879 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