CID 97782

2-benzylidenebutanal

Structural Information

Molecular Formula

C₁₁H₁₂O

SMILES

CCC(=CC1=CC=CC=C1)C=O

InChI

InChI=1S/C11H12O/c1-2-10(9-12)8-11-6-4-3-5-7-11/h3-9H,2H2,1H3

InChIKey

BOCRJYUZWIOMOJ-UHFFFAOYSA-N

Compound name

2-benzylidenebutanal

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 91
Patents: 160.08882 Da
Monoisotopic Mass: 2.6
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	135.4
[M+Na]+	183.07804	148.4
[M+NH4]+	178.12264	144.2
[M+K]+	199.05198	140.9
[M-H]-	159.08154	137.6
[M+Na-2H]-	181.06349	142.7
[M]+	160.08827	137.8
[M]-	160.08937	137.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe