CID 67322417

4-o-methylpinosylvic acid

Structural Information

Molecular Formula
C16H14O4
SMILES
COC1=CC(=C(C(=C1)O)C(=O)O)/C=C/C2=CC=CC=C2
InChI
InChI=1S/C16H14O4/c1-20-13-9-12(15(16(18)19)14(17)10-13)8-7-11-5-3-2-4-6-11/h2-10,17H,1H3,(H,18,19)/b8-7+
InChIKey
PICDNGANOHNCPT-BQYQJAHWSA-N
Compound name
2-hydroxy-4-methoxy-6-[(E)-2-phenylethenyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

14
Patents

270.0892 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.09648 159.8
[M+Na]+ 293.07842 167.5
[M-H]- 269.08192 164.4
[M+NH4]+ 288.12302 174.8
[M+K]+ 309.05236 163.2
[M+H-H2O]+ 253.08646 152.8
[M+HCOO]- 315.08740 180.8
[M+CH3COO]- 329.10305 193.4
[M+Na-2H]- 291.06387 162.6
[M]+ 270.08865 160.7
[M]- 270.08975 160.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe