CID 6923

2-tert-butylphenol

Structural Information

Molecular Formula
C10H14O
SMILES
CC(C)(C)C1=CC=CC=C1O
InChI
InChI=1S/C10H14O/c1-10(2,3)8-6-4-5-7-9(8)11/h4-7,11H,1-3H3
InChIKey
WJQOZHYUIDYNHM-UHFFFAOYSA-N
Compound name
2-tert-butylphenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

37
References

43740
Patents

150.10446 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.11174 132.4
[M+Na]+ 173.09368 145.3
[M+NH4]+ 168.13828 141.4
[M+K]+ 189.06762 139.2
[M-H]- 149.09718 134.3
[M+Na-2H]- 171.07913 139.7
[M]+ 150.10391 134.9
[M]- 150.10501 134.9
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