CID 6997

2-ethylphenol

Structural Information

Molecular Formula
C8H10O
SMILES
CCC1=CC=CC=C1O
InChI
InChI=1S/C8H10O/c1-2-7-5-3-4-6-8(7)9/h3-6,9H,2H2,1H3
InChIKey
IXQGCWUGDFDQMF-UHFFFAOYSA-N
Compound name
2-ethylphenol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

27
References

37297
Patents

122.073166 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.08044 122.8
[M+Na]+ 145.06238 136.4
[M+NH4]+ 140.10699 132.4
[M+K]+ 161.03632 129.6
[M-H]- 121.06589 125.4
[M+Na-2H]- 143.04783 130.7
[M]+ 122.07262 125.5
[M]- 122.07371 125.5
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