CID 12899721

3-butoxy-2-hydroxybenzaldehyde

Structural Information

Molecular Formula
C11H14O3
SMILES
CCCCOC1=CC=CC(=C1O)C=O
InChI
InChI=1S/C11H14O3/c1-2-3-7-14-10-6-4-5-9(8-12)11(10)13/h4-6,8,13H,2-3,7H2,1H3
InChIKey
CIMIFJMNMSMDAA-UHFFFAOYSA-N
Compound name
3-butoxy-2-hydroxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

25
Patents

194.0943 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.10158 140.7
[M+Na]+ 217.08352 148.9
[M-H]- 193.08702 143.3
[M+NH4]+ 212.12812 159.9
[M+K]+ 233.05746 146.6
[M+H-H2O]+ 177.09156 135.0
[M+HCOO]- 239.09250 164.0
[M+CH3COO]- 253.10815 182.2
[M+Na-2H]- 215.06897 146.0
[M]+ 194.09375 143.9
[M]- 194.09485 143.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe