PubChemLite - 16432-36-3 (C10H10O2)

Structural Information

Molecular Formula

C₁₀H₁₀O₂

SMILES

CC(=O)C=C(C1=CC=CC=C1)O

InChI

InChI=1S/C10H10O2/c1-8(11)7-10(12)9-5-3-2-4-6-9/h2-7,12H,1H3

InChIKey

MPRZBJONKJDMJV-UHFFFAOYSA-N

Compound name

4-hydroxy-4-phenylbut-3-en-2-one

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	163.07536	134.7
[M+Na]+	185.05730	146.4
[M+NH4]+	180.10190	142.5
[M+K]+	201.03124	140.8
[M-H]-	161.06080	135.6
[M+Na-2H]-	183.04275	140.7
[M]+	162.06753	136.4
[M]-	162.06863	136.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

163.07536

134.7

[M+Na]+

185.05730

146.4

[M+NH4]+

180.10190

142.5

[M+K]+

201.03124

140.8

[M-H]-

161.06080

135.6

[M+Na-2H]-

183.04275

140.7

[M]+

162.06753

136.4

[M]-

162.06863

136.4

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

16432-36-3

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe