CID 33658

2,5-diethylphenol

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

929
Patents

150.10446 Da
Monoisotopic Mass

3.2
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