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

61
Patents

150.10446 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.11174 131.0
[M+Na]+ 173.09368 145.0
[M+NH4]+ 168.13828 140.3
[M+K]+ 189.06762 138.1
[M-H]- 149.09718 133.7
[M+Na-2H]- 171.07913 138.0
[M]+ 150.10391 133.9
[M]- 150.10501 133.9
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

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