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
buta-1,2-dienylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

92
Patents

130.07825 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 131.085526 125.5
[M+Na]+ 153.067468 133.4
[M-H]- 129.070974 129.2
[M+NH4]+ 148.112073 147.8
[M+K]+ 169.041408 130.2
[M+H-H2O]+ 113.075510 120.4
[M+HCOO]- 175.076451 150.3
[M+CH3COO]- 189.092101 171.4
[M+Na-2H]- 151.052916 133.6
[M]+ 130.07770142 124.3
[M]- 130.07879858 124.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe