CID 5355902

1901-26-4

Structural Information

Molecular Formula

C₁₁H₁₂O

SMILES

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

InChI

InChI=1S/C11H12O/c1-9(10(2)12)8-11-6-4-3-5-7-11/h3-8H,1-2H3/b9-8-

InChIKey

BQJFBHBDOAIIGS-HJWRWDBZSA-N

Compound name

(Z)-3-methyl-4-phenylbut-3-en-2-one

Related CIDs

2D Structure

compound 2d structure

5
Annotation Hits: 1
References: 296
Patents: 160.08882 Da
Monoisotopic Mass: 2.1
XlogP (predicted)

Profile

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]+	161.09610	135.5
[M+Na]+	183.07804	148.1
[M+NH4]+	178.12264	144.1
[M+K]+	199.05198	141.4
[M-H]-	159.08154	137.5
[M+Na-2H]-	181.06349	142.4
[M]+	160.08827	137.8
[M]-	160.08937	137.8

Literature stripe

literature stripe

Patent stripe

patents stripe