CID 45083349

205679-28-3

Structural Information

Molecular Formula

C₁₁H₁₂O

SMILES

C1C(CC1C2=CC=CC=C2)C=O

InChI

InChI=1S/C11H12O/c12-8-9-6-11(7-9)10-4-2-1-3-5-10/h1-5,8-9,11H,6-7H2

InChIKey

OGVJNNYSEAWOSL-UHFFFAOYSA-N

Compound name

3-phenylcyclobutane-1-carbaldehyde

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 42
Patents: 160.08882 Da
Monoisotopic Mass: 1.9
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	128.0
[M+Na]+	183.07804	134.5
[M-H]-	159.08154	134.7
[M+NH4]+	178.12264	142.5
[M+K]+	199.05198	135.2
[M+H-H2O]+	143.08608	117.2
[M+HCOO]-	205.08702	150.8
[M+CH3COO]-	219.10267	181.3
[M+Na-2H]-	181.06349	134.6
[M]+	160.08827	135.6
[M]-	160.08937	135.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe