CID 23110023

224586-49-6

Structural Information

Molecular Formula
C13H18O4
SMILES
CCC(C)OC1=C(C=C(C=C1OC)C=O)OC
InChI
InChI=1S/C13H18O4/c1-5-9(2)17-13-11(15-3)6-10(8-14)7-12(13)16-4/h6-9H,5H2,1-4H3
InChIKey
VCHJCKGXKVNISR-UHFFFAOYSA-N
Compound name
4-butan-2-yloxy-3,5-dimethoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

52
Patents

238.12051 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.127786 151.5
[M+Na]+ 261.109728 159.9
[M-H]- 237.113234 155.6
[M+NH4]+ 256.154333 169.9
[M+K]+ 277.083668 159.2
[M+H-H2O]+ 221.117770 145.4
[M+HCOO]- 283.118711 174.9
[M+CH3COO]- 297.134361 195.0
[M+Na-2H]- 259.095176 154.5
[M]+ 238.11996142 158.6
[M]- 238.12105858 158.6
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

patents stripe