CID 97101

2-allylanisole

Structural Information

Molecular Formula
C10H12O
SMILES
COC1=CC=CC=C1CC=C
InChI
InChI=1S/C10H12O/c1-3-6-9-7-4-5-8-10(9)11-2/h3-5,7-8H,1,6H2,2H3
InChIKey
BCINBJDCXBFCDT-UHFFFAOYSA-N
Compound name
1-methoxy-2-prop-2-enylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

443
Patents

148.08882 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.09610 130.7
[M+Na]+ 171.07804 144.5
[M+NH4]+ 166.12264 140.0
[M+K]+ 187.05198 136.8
[M-H]- 147.08154 133.5
[M+Na-2H]- 169.06349 138.6
[M]+ 148.08827 133.5
[M]- 148.08937 133.5
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