CID 76719

2,3,4,6-tetramethylphenol

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1198
Patents

150.10446 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.11174 129.1
[M+Na]+ 173.09368 139.5
[M-H]- 149.09718 132.8
[M+NH4]+ 168.13828 151.1
[M+K]+ 189.06762 137.2
[M+H-H2O]+ 133.10172 124.8
[M+HCOO]- 195.10266 152.1
[M+CH3COO]- 209.11831 178.4
[M+Na-2H]- 171.07913 133.8
[M]+ 150.10391 130.6
[M]- 150.10501 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