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

553
Patents

148.08882 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 149.096096 129.4
[M+Na]+ 171.078038 137.7
[M-H]- 147.081544 133.3
[M+NH4]+ 166.122643 151.1
[M+K]+ 187.051978 135.6
[M+H-H2O]+ 131.086080 124.1
[M+HCOO]- 193.087021 154.2
[M+CH3COO]- 207.102671 176.7
[M+Na-2H]- 169.063486 136.6
[M]+ 148.08827142 130.9
[M]- 148.08936858 130.9
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