CID 21325556

2-hydroxy-4,6-dipropoxybenzaldehyde

Structural Information

Molecular Formula
C13H18O4
SMILES
CCCOC1=CC(=C(C(=C1)OCCC)C=O)O
InChI
InChI=1S/C13H18O4/c1-3-5-16-10-7-12(15)11(9-14)13(8-10)17-6-4-2/h7-9,15H,3-6H2,1-2H3
InChIKey
AGEJIFIPSQCTCL-UHFFFAOYSA-N
Compound name
2-hydroxy-4,6-dipropoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

238.12051 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.127786 152.2
[M+Na]+ 261.109728 160.4
[M-H]- 237.113234 154.8
[M+NH4]+ 256.154333 169.9
[M+K]+ 277.083668 158.2
[M+H-H2O]+ 221.117770 146.1
[M+HCOO]- 283.118711 175.0
[M+CH3COO]- 297.134361 191.6
[M+Na-2H]- 259.095176 155.9
[M]+ 238.11996142 158.0
[M]- 238.12105858 158.0
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