CID 5370536

Piperic acid

Structural Information

Molecular Formula
C12H10O4
SMILES
C1OC2=C(O1)C=C(C=C2)/C=C/C=C/C(=O)O
InChI
InChI=1S/C12H10O4/c13-12(14)4-2-1-3-9-5-6-10-11(7-9)16-8-15-10/h1-7H,8H2,(H,13,14)/b3-1+,4-2+
InChIKey
RHBGITBPARBDPH-ZPUQHVIOSA-N
Compound name
(2E,4E)-5-(1,3-benzodioxol-5-yl)penta-2,4-dienoic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

37
References

1615
Patents

218.0579 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.06518 146.0
[M+Na]+ 241.04712 153.7
[M-H]- 217.05062 150.3
[M+NH4]+ 236.09172 163.9
[M+K]+ 257.02106 152.3
[M+H-H2O]+ 201.05516 141.0
[M+HCOO]- 263.05610 165.9
[M+CH3COO]- 277.07175 182.2
[M+Na-2H]- 239.03257 151.8
[M]+ 218.05735 147.7
[M]- 218.05845 147.7
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