CID 70507

2,6-diethylphenol

Structural Information

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

2D Structure

compound 2d structure
4
Annotation Hits

6
References

3079
Patents

150.10446 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.111736 130.9
[M+Na]+ 173.093678 139.5
[M-H]- 149.097184 133.8
[M+NH4]+ 168.138283 152.2
[M+K]+ 189.067618 137.0
[M+H-H2O]+ 133.101720 126.0
[M+HCOO]- 195.102661 154.0
[M+CH3COO]- 209.118311 176.0
[M+Na-2H]- 171.079126 136.9
[M]+ 150.10391142 131.6
[M]- 150.10500858 131.6
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