CID 5383524

1-allyloxy-2,4-dimethyl-6-propenylbenzene

Structural Information

Molecular Formula
C14H18O
SMILES
C/C=C/C1=CC(=CC(=C1OCC=C)C)C
InChI
InChI=1S/C14H18O/c1-5-7-13-10-11(3)9-12(4)14(13)15-8-6-2/h5-7,9-10H,2,8H2,1,3-4H3/b7-5+
InChIKey
PEPKGHHYUAMGBO-FNORWQNLSA-N
Compound name
1,5-dimethyl-2-prop-2-enoxy-3-[(E)-prop-1-enyl]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

202.13577 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.14305 144.9
[M+Na]+ 225.12499 153.8
[M-H]- 201.12849 148.9
[M+NH4]+ 220.16959 165.1
[M+K]+ 241.09893 150.1
[M+H-H2O]+ 185.13303 139.4
[M+HCOO]- 247.13397 168.6
[M+CH3COO]- 261.14962 189.5
[M+Na-2H]- 223.11044 148.6
[M]+ 202.13522 147.9
[M]- 202.13632 147.9
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.