CID 6365770

77375-50-9

Structural Information

Molecular Formula
C17H14O3
SMILES
CC1=CC(=C(C=C1)C(=O)/C=C/C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C17H14O3/c1-12-7-9-14(15(11-12)17(19)20)16(18)10-8-13-5-3-2-4-6-13/h2-11H,1H3,(H,19,20)/b10-8+
InChIKey
NNMSOQACCTUWMJ-CSKARUKUSA-N
Compound name
5-methyl-2-[(E)-3-phenylprop-2-enoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

266.0943 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.101576 159.9
[M+Na]+ 289.083518 166.8
[M-H]- 265.087024 165.3
[M+NH4]+ 284.128123 175.4
[M+K]+ 305.057458 162.4
[M+H-H2O]+ 249.091560 152.6
[M+HCOO]- 311.092501 181.0
[M+CH3COO]- 325.108151 195.5
[M+Na-2H]- 287.068966 162.1
[M]+ 266.09375142 159.8
[M]- 266.09484858 159.8
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

No patent data available for this compound.