CID 11335

2,6-dimethylphenol

Structural Information

Molecular Formula
C8H10O
SMILES
CC1=C(C(=CC=C1)C)O
InChI
InChI=1S/C8H10O/c1-6-4-3-5-7(2)8(6)9/h3-5,9H,1-2H3
InChIKey
NXXYKOUNUYWIHA-UHFFFAOYSA-N
Compound name
2,6-dimethylphenol
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

97
References

41113
Patents

122.073166 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.08044 122.3
[M+Na]+ 145.06238 136.3
[M+NH4]+ 140.10699 131.9
[M+K]+ 161.03632 129.7
[M-H]- 121.06589 125.0
[M+Na-2H]- 143.04783 130.0
[M]+ 122.07262 125.1
[M]- 122.07371 125.1
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