CID 11904

2-methylstyrene

Structural Information

Molecular Formula
C9H10
SMILES
CC1=CC=CC=C1C=C
InChI
InChI=1S/C9H10/c1-3-9-7-5-4-6-8(9)2/h3-7H,1H2,2H3
InChIKey
NVZWEEGUWXZOKI-UHFFFAOYSA-N
Compound name
1-ethenyl-2-methylbenzene
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

5
References

67804
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 122.8
[M+Na]+ 141.06747 137.4
[M+NH4]+ 136.11207 132.9
[M+K]+ 157.04141 129.4
[M-H]- 117.07097 126.2
[M+Na-2H]- 139.05292 131.5
[M]+ 118.07770 126.0
[M]- 118.07880 126.0
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