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

10
Patents

238.12051 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.12779 152.2
[M+Na]+ 261.10973 160.4
[M-H]- 237.11323 154.8
[M+NH4]+ 256.15433 169.9
[M+K]+ 277.08367 158.2
[M+H-H2O]+ 221.11777 146.1
[M+HCOO]- 283.11871 175.0
[M+CH3COO]- 297.13436 191.6
[M+Na-2H]- 259.09518 155.9
[M]+ 238.11996 158.0
[M]- 238.12106 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