CID 102189647

2-ethyl-4,6-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]+ 195.101576 139.1
[M+Na]+ 217.083518 149.7
[M-H]- 193.087024 141.5
[M+NH4]+ 212.128123 158.6
[M+K]+ 233.057458 146.7
[M+H-H2O]+ 177.091560 134.6
[M+HCOO]- 239.092501 160.9
[M+CH3COO]- 253.108151 183.5
[M+Na-2H]- 215.068966 142.0
[M]+ 194.09375142 141.7
[M]- 194.09484858 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.