CID 12899719

2-hydroxy-3-propoxybenzaldehyde

Structural Information

Molecular Formula
C10H12O3
SMILES
CCCOC1=CC=CC(=C1O)C=O
InChI
InChI=1S/C10H12O3/c1-2-6-13-9-5-3-4-8(7-11)10(9)12/h3-5,7,12H,2,6H2,1H3
InChIKey
DFIYBCQWNYMGBR-UHFFFAOYSA-N
Compound name
2-hydroxy-3-propoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

180.07864 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.08592 136.0
[M+Na]+ 203.06786 144.7
[M-H]- 179.07136 138.8
[M+NH4]+ 198.11246 155.8
[M+K]+ 219.04180 142.6
[M+H-H2O]+ 163.07590 130.6
[M+HCOO]- 225.07684 159.7
[M+CH3COO]- 239.09249 179.2
[M+Na-2H]- 201.05331 141.9
[M]+ 180.07809 138.9
[M]- 180.07919 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