CID 247477

2-ethyl-4,5-dimethylphenol

Structural Information

Molecular Formula
C10H14O
SMILES
CCC1=C(C=C(C(=C1)C)C)O
InChI
InChI=1S/C10H14O/c1-4-9-5-7(2)8(3)6-10(9)11/h5-6,11H,4H2,1-3H3
InChIKey
ZUDAICPAUJSPHK-UHFFFAOYSA-N
Compound name
2-ethyl-4,5-dimethylphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

100
Patents

150.10446 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.111736 130.1
[M+Na]+ 173.093678 139.6
[M-H]- 149.097184 133.3
[M+NH4]+ 168.138283 151.7
[M+K]+ 189.067618 137.2
[M+H-H2O]+ 133.101720 125.5
[M+HCOO]- 195.102661 153.1
[M+CH3COO]- 209.118311 177.2
[M+Na-2H]- 171.079126 135.4
[M]+ 150.10391142 131.2
[M]- 150.10500858 131.2
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