CID 77799

6-tert-butyl-3-isopropylphenol

Structural Information

Molecular Formula
C13H20O
SMILES
CC(C)C1=CC(=C(C=C1)C(C)(C)C)O
InChI
InChI=1S/C13H20O/c1-9(2)10-6-7-11(12(14)8-10)13(3,4)5/h6-9,14H,1-5H3
InChIKey
DBULNVCXEGKRIX-UHFFFAOYSA-N
Compound name
2-tert-butyl-5-propan-2-ylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

192.15141 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 193.15869 144.3
[M+Na]+ 215.14063 151.9
[M-H]- 191.14413 147.1
[M+NH4]+ 210.18523 164.1
[M+K]+ 231.11457 149.7
[M+H-H2O]+ 175.14867 139.7
[M+HCOO]- 237.14961 163.8
[M+CH3COO]- 251.16526 185.7
[M+Na-2H]- 213.12608 148.2
[M]+ 192.15086 144.9
[M]- 192.15196 144.9
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