CID 5463840

1319-88-6

Structural Information

Molecular Formula
C10H12O3
SMILES
C1=CC=C(C=C1)/C=C(/C(CO)O)\O
InChI
InChI=1S/C10H12O3/c11-7-10(13)9(12)6-8-4-2-1-3-5-8/h1-6,10-13H,7H2/b9-6-
InChIKey
FSDPQZPRLPFVLK-TWGQIWQCSA-N
Compound name
(Z)-4-phenylbut-3-ene-1,2,3-triol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

37
Patents

180.07864 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.08592 139.6
[M+Na]+ 203.06786 145.0
[M-H]- 179.07136 138.8
[M+NH4]+ 198.11246 157.1
[M+K]+ 219.04180 142.0
[M+H-H2O]+ 163.07590 134.3
[M+HCOO]- 225.07684 158.1
[M+CH3COO]- 239.09249 172.9
[M+Na-2H]- 201.05331 143.1
[M]+ 180.07809 136.4
[M]- 180.07919 136.4
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