CID 3020036

3-allyl-2-(allyloxy)benzaldehyde

Structural Information

Molecular Formula
C13H14O2
SMILES
C=CCC1=C(C(=CC=C1)C=O)OCC=C
InChI
InChI=1S/C13H14O2/c1-3-6-11-7-5-8-12(10-14)13(11)15-9-4-2/h3-5,7-8,10H,1-2,6,9H2
InChIKey
YIZHWEKWDRJEKT-UHFFFAOYSA-N
Compound name
2-prop-2-enoxy-3-prop-2-enylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

202.09938 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.106656 142.9
[M+Na]+ 225.088598 151.4
[M-H]- 201.092104 146.7
[M+NH4]+ 220.133203 162.5
[M+K]+ 241.062538 147.8
[M+H-H2O]+ 185.096640 137.1
[M+HCOO]- 247.097581 167.3
[M+CH3COO]- 261.113231 187.1
[M+Na-2H]- 223.074046 147.8
[M]+ 202.09883142 145.9
[M]- 202.09992858 145.9
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