CID 18182978

4-ethoxy-3,5-dimethylbenzaldehyde

Structural Information

Molecular Formula
C11H14O2
SMILES
CCOC1=C(C=C(C=C1C)C=O)C
InChI
InChI=1S/C11H14O2/c1-4-13-11-8(2)5-10(7-12)6-9(11)3/h5-7H,4H2,1-3H3
InChIKey
MFIBANLTLFSKKI-UHFFFAOYSA-N
Compound name
4-ethoxy-3,5-dimethylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

178.09938 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.106656 135.7
[M+Na]+ 201.088598 145.4
[M-H]- 177.092104 140.2
[M+NH4]+ 196.133203 156.8
[M+K]+ 217.062538 143.6
[M+H-H2O]+ 161.096640 130.4
[M+HCOO]- 223.097581 160.4
[M+CH3COO]- 237.113231 184.0
[M+Na-2H]- 199.074046 141.0
[M]+ 178.09883142 139.8
[M]- 178.09992858 139.8
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