CID 252325

Trans-beta-methylstyrene

Structural Information

Molecular Formula
C9H10
SMILES
C/C=C/C1=CC=CC=C1
InChI
InChI=1S/C9H10/c1-2-6-9-7-4-3-5-8-9/h2-8H,1H3/b6-2+
InChIKey
QROGIFZRVHSFLM-QHHAFSJGSA-N
Compound name
[(E)-prop-1-enyl]benzene
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

69
References

140296
Patents

118.07825 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 119.08553 122.1
[M+Na]+ 141.06747 129.9
[M-H]- 117.07097 125.8
[M+NH4]+ 136.11207 144.8
[M+K]+ 157.04141 127.7
[M+H-H2O]+ 101.07551 117.0
[M+HCOO]- 163.07645 147.0
[M+CH3COO]- 177.09210 170.0
[M+Na-2H]- 139.05292 130.6
[M]+ 118.07770 121.3
[M]- 118.07880 121.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.