CID 519333

2-ethyl-6-methylphenol

Structural Information

Molecular Formula
C9H12O
SMILES
CCC1=CC=CC(=C1O)C
InChI
InChI=1S/C9H12O/c1-3-8-6-4-5-7(2)9(8)10/h4-6,10H,3H2,1-2H3
InChIKey
CIRRFAQIWQFQSS-UHFFFAOYSA-N
Compound name
2-ethyl-6-methylphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

2792
Patents

136.08882 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.09610 126.8
[M+Na]+ 159.07804 140.7
[M+NH4]+ 154.12264 136.3
[M+K]+ 175.05198 133.8
[M-H]- 135.08154 129.5
[M+Na-2H]- 157.06349 134.3
[M]+ 136.08827 129.6
[M]- 136.08937 129.6
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