CID 22456885

Methyl 2-(4-cyanophenyl)-2-hydroxyacetate

Structural Information

Molecular Formula
C10H9NO3
SMILES
COC(=O)C(C1=CC=C(C=C1)C#N)O
InChI
InChI=1S/C10H9NO3/c1-14-10(13)9(12)8-4-2-7(6-11)3-5-8/h2-5,9,12H,1H3
InChIKey
ZMVCFIDIBISAFX-UHFFFAOYSA-N
Compound name
methyl 2-(4-cyanophenyl)-2-hydroxyacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
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 142.3
[M+Na]+ 214.047458 151.6
[M-H]- 190.050964 144.5
[M+NH4]+ 209.092063 159.2
[M+K]+ 230.021398 149.4
[M+H-H2O]+ 174.055500 130.2
[M+HCOO]- 236.056441 160.5
[M+CH3COO]- 250.072091 192.7
[M+Na-2H]- 212.032906 145.9
[M]+ 191.05769142 138.1
[M]- 191.05878858 138.1
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