CID 69719059

3-(4-cyanophenyl)-2-hydroxypropanoic acid

Structural Information

Molecular Formula
C10H9NO3
SMILES
C1=CC(=CC=C1CC(C(=O)O)O)C#N
InChI
InChI=1S/C10H9NO3/c11-6-8-3-1-7(2-4-8)5-9(12)10(13)14/h1-4,9,12H,5H2,(H,13,14)
InChIKey
ZFCLQIFNIFOPFW-UHFFFAOYSA-N
Compound name
3-(4-cyanophenyl)-2-hydroxypropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

20
Patents

191.05824 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.065516 143.6
[M+Na]+ 214.047458 152.4
[M-H]- 190.050964 144.6
[M+NH4]+ 209.092063 159.8
[M+K]+ 230.021398 149.5
[M+H-H2O]+ 174.055500 131.7
[M+HCOO]- 236.056441 160.4
[M+CH3COO]- 250.072091 191.0
[M+Na-2H]- 212.032906 146.6
[M]+ 191.05769142 137.7
[M]- 191.05878858 137.7
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