CID 10694

2,3,5,6-tetramethylphenol

Structural Information

Molecular Formula
C10H14O
SMILES
CC1=CC(=C(C(=C1C)O)C)C
InChI
InChI=1S/C10H14O/c1-6-5-7(2)9(4)10(11)8(6)3/h5,11H,1-4H3
InChIKey
KLAQSPUVCDBEGF-UHFFFAOYSA-N
Compound name
2,3,5,6-tetramethylphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3918
Patents

150.10446 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.111736 129.1
[M+Na]+ 173.093678 139.5
[M-H]- 149.097184 132.8
[M+NH4]+ 168.138283 151.1
[M+K]+ 189.067618 137.2
[M+H-H2O]+ 133.101720 124.8
[M+HCOO]- 195.102661 152.1
[M+CH3COO]- 209.118311 178.4
[M+Na-2H]- 171.079126 133.8
[M]+ 150.10391142 130.6
[M]- 150.10500858 130.6
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