CID 21946176

3-hydroxy-4-propoxybenzaldehyde

Structural Information

Molecular Formula
C10H12O3
SMILES
CCCOC1=C(C=C(C=C1)C=O)O
InChI
InChI=1S/C10H12O3/c1-2-5-13-10-4-3-8(7-11)6-9(10)12/h3-4,6-7,12H,2,5H2,1H3
InChIKey
PMCWOGATSZLJKS-UHFFFAOYSA-N
Compound name
3-hydroxy-4-propoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

110
Patents

180.07864 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.085916 136.0
[M+Na]+ 203.067858 144.7
[M-H]- 179.071364 138.8
[M+NH4]+ 198.112463 155.8
[M+K]+ 219.041798 142.6
[M+H-H2O]+ 163.075900 130.6
[M+HCOO]- 225.076841 159.7
[M+CH3COO]- 239.092491 179.2
[M+Na-2H]- 201.053306 141.9
[M]+ 180.07809142 138.9
[M]- 180.07918858 138.9
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