CID 10687

2,3-dimethylphenol

Structural Information

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

2D Structure

compound 2d structure
7
Annotation Hits

42
References

36971
Patents

122.073166 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.08044 121.5
[M+Na]+ 145.06238 130.9
[M-H]- 121.06589 124.7
[M+NH4]+ 140.10699 143.9
[M+K]+ 161.03632 129.0
[M+H-H2O]+ 105.07043 117.0
[M+HCOO]- 167.07137 145.2
[M+CH3COO]- 181.08702 169.9
[M+Na-2H]- 143.04783 128.6
[M]+ 122.07262 121.4
[M]- 122.07371 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