CID 17604551

3-allyl-4-ethoxybenzaldehyde

Structural Information

Molecular Formula
C12H14O2
SMILES
CCOC1=C(C=C(C=C1)C=O)CC=C
InChI
InChI=1S/C12H14O2/c1-3-5-11-8-10(9-13)6-7-12(11)14-4-2/h3,6-9H,1,4-5H2,2H3
InChIKey
RXLZQLONVRGPEL-UHFFFAOYSA-N
Compound name
4-ethoxy-3-prop-2-enylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.09938 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.10666 139.8
[M+Na]+ 213.08860 148.5
[M-H]- 189.09210 143.7
[M+NH4]+ 208.13320 160.0
[M+K]+ 229.06254 145.7
[M+H-H2O]+ 173.09664 134.1
[M+HCOO]- 235.09758 164.3
[M+CH3COO]- 249.11323 185.0
[M+Na-2H]- 211.07405 145.3
[M]+ 190.09883 143.2
[M]- 190.09993 143.2
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.