CID 592110

3-methoxy-4-propoxybenzaldehyde

Structural Information

Molecular Formula
C11H14O3
SMILES
CCCOC1=C(C=C(C=C1)C=O)OC
InChI
InChI=1S/C11H14O3/c1-3-6-14-10-5-4-9(8-12)7-11(10)13-2/h4-5,7-8H,3,6H2,1-2H3
InChIKey
YUWQIFGCZPFOAL-UHFFFAOYSA-N
Compound name
3-methoxy-4-propoxybenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

194.0943 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.10158 139.9
[M+Na]+ 217.08352 148.6
[M-H]- 193.08702 143.9
[M+NH4]+ 212.12812 159.9
[M+K]+ 233.05746 147.2
[M+H-H2O]+ 177.09156 134.0
[M+HCOO]- 239.09250 164.8
[M+CH3COO]- 253.10815 184.8
[M+Na-2H]- 215.06897 145.8
[M]+ 194.09375 145.0
[M]- 194.09485 145.0
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