CID 137545

Benzene, 1,2-butadienyl-

Structural Information

Molecular Formula

C₁₀H₁₀

SMILES

CC=C=CC1=CC=CC=C1

InChI

InChI=1S/C10H10/c1-2-3-7-10-8-5-4-6-9-10/h2,4-9H,1H3

InChIKey

XTKAHDQLUKRHID-UHFFFAOYSA-N

Compound name

None

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 104
Patents: 130.07825 Da
Monoisotopic Mass: 2.5
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]+	131.08553	127.6
[M+Na]+	153.06747	141.7
[M+NH4]+	148.11207	137.3
[M+K]+	169.04141	133.1
[M-H]-	129.07097	130.7
[M+Na-2H]-	151.05292	136.1
[M]+	130.07770	130.5
[M]-	130.07880	130.5

Literature stripe

literature stripe

Patent stripe

patents stripe