CID 74871

2039-93-2

Structural Information

Molecular Formula
C10H12
SMILES
CCC(=C)C1=CC=CC=C1
InChI
InChI=1S/C10H12/c1-3-9(2)10-7-5-4-6-8-10/h4-8H,2-3H2,1H3
InChIKey
SQHOHKQMTHROSF-UHFFFAOYSA-N
Compound name
but-1-en-2-ylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

39079
Patents

132.0939 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 133.101176 126.9
[M+Na]+ 155.083118 134.0
[M-H]- 131.086624 130.5
[M+NH4]+ 150.127723 148.9
[M+K]+ 171.057058 131.9
[M+H-H2O]+ 115.091160 121.7
[M+HCOO]- 177.092101 150.4
[M+CH3COO]- 191.107751 174.5
[M+Na-2H]- 153.068566 133.6
[M]+ 132.09335142 125.9
[M]- 132.09444858 125.9
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