CID 7249

3,4-dimethylphenol

Structural Information

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

2D Structure

compound 2d structure
7
Annotation Hits

29
References

44234
Patents

122.073166 Da
Monoisotopic Mass

2.2
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