CID 5474661

Sodium 3-oxo-3-phenylprop-1-en-1-olate

Structural Information

Molecular Formula
C9H8O2
SMILES
C1=CC=C(C=C1)C(=O)/C=C/O
InChI
InChI=1S/C9H8O2/c10-7-6-9(11)8-4-2-1-3-5-8/h1-7,10H/b7-6+
InChIKey
KZHCVYMQWVJNEY-VOTSOKGWSA-N
Compound name
(E)-3-hydroxy-1-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2
Patents

148.05243 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.059706 128.8
[M+Na]+ 171.041648 136.2
[M-H]- 147.045154 131.2
[M+NH4]+ 166.086253 149.3
[M+K]+ 187.015588 133.7
[M+H-H2O]+ 131.049690 123.6
[M+HCOO]- 193.050631 151.8
[M+CH3COO]- 207.066281 171.1
[M+Na-2H]- 169.027096 135.4
[M]+ 148.05188142 127.6
[M]- 148.05297858 127.6
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