CID 7267

2,5-dimethylphenol

Structural Information

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

2D Structure

compound 2d structure
9
Annotation Hits

20
References

28523
Patents

122.073166 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.080442 121.5
[M+Na]+ 145.062384 130.9
[M-H]- 121.065890 124.7
[M+NH4]+ 140.106989 143.9
[M+K]+ 161.036324 129.0
[M+H-H2O]+ 105.070426 117.0
[M+HCOO]- 167.071367 145.2
[M+CH3COO]- 181.087017 169.9
[M+Na-2H]- 143.047832 128.6
[M]+ 122.07261742 121.4
[M]- 122.07371458 121.4
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