CID 6475927

Schembl13755053

Structural Information

Molecular Formula
C16H14O4
SMILES
C1=CC=C(C=C1)COC2=CC=C(C=C2)/C=C(/C(=O)O)\O
InChI
InChI=1S/C16H14O4/c17-15(16(18)19)10-12-6-8-14(9-7-12)20-11-13-4-2-1-3-5-13/h1-10,17H,11H2,(H,18,19)/b15-10-
InChIKey
YSMGFYKKPDVOMR-GDNBJRDFSA-N
Compound name
(Z)-2-hydroxy-3-(4-phenylmethoxyphenyl)prop-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

270.0892 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.09648 160.7
[M+Na]+ 293.07842 166.3
[M-H]- 269.08192 164.5
[M+NH4]+ 288.12302 175.0
[M+K]+ 309.05236 162.4
[M+H-H2O]+ 253.08646 153.3
[M+HCOO]- 315.08740 180.6
[M+CH3COO]- 329.10305 191.8
[M+Na-2H]- 291.06387 163.7
[M]+ 270.08865 160.1
[M]- 270.08975 160.1
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