CID 1549512

5-phenylpenta-2,4-dienoic acid

Structural Information

Molecular Formula
C11H10O2
SMILES
C1=CC=C(C=C1)/C=C/C=C/C(=O)O
InChI
InChI=1S/C11H10O2/c12-11(13)9-5-4-8-10-6-2-1-3-7-10/h1-9H,(H,12,13)/b8-4+,9-5+
InChIKey
FEIQOMCWGDNMHM-KBXRYBNXSA-N
Compound name
(2E,4E)-5-phenylpenta-2,4-dienoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

7
References

4007
Patents

174.06808 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 175.07536 137.0
[M+Na]+ 197.05730 143.9
[M-H]- 173.06080 139.0
[M+NH4]+ 192.10190 156.4
[M+K]+ 213.03124 140.3
[M+H-H2O]+ 157.06534 131.4
[M+HCOO]- 219.06628 159.5
[M+CH3COO]- 233.08193 175.6
[M+Na-2H]- 195.04275 142.4
[M]+ 174.06753 135.7
[M]- 174.06863 135.7
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