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

11
Patents

148.05243 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.05971 128.8
[M+Na]+ 171.04165 136.2
[M-H]- 147.04515 131.2
[M+NH4]+ 166.08625 149.3
[M+K]+ 187.01559 133.7
[M+H-H2O]+ 131.04969 123.6
[M+HCOO]- 193.05063 151.8
[M+CH3COO]- 207.06628 171.1
[M+Na-2H]- 169.02710 135.4
[M]+ 148.05188 127.6
[M]- 148.05298 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