CID 102189647

6-ethyl-2,4-dihydroxy-3,5-dimethylbenzaldehyde

Structural Information

Molecular Formula
C11H14O3
SMILES
CCC1=C(C(=C(C(=C1C=O)O)C)O)C
InChI
InChI=1S/C11H14O3/c1-4-8-6(2)10(13)7(3)11(14)9(8)5-12/h5,13-14H,4H2,1-3H3
InChIKey
UVMVOFJDJJPWBT-UHFFFAOYSA-N
Compound name
2-ethyl-4,6-dihydroxy-3,5-dimethylbenzaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.0943 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.10158 139.1
[M+Na]+ 217.08352 149.7
[M-H]- 193.08702 141.5
[M+NH4]+ 212.12812 158.6
[M+K]+ 233.05746 146.7
[M+H-H2O]+ 177.09156 134.6
[M+HCOO]- 239.09250 160.9
[M+CH3COO]- 253.10815 183.5
[M+Na-2H]- 215.06897 142.0
[M]+ 194.09375 141.7
[M]- 194.09485 141.7
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

No patent data available for this compound.