CID 605573

Phenol, 2-(1,1-dimethylethyl)-4-(1,1,3,3-tetramethylbutyl)-

Structural Information

Molecular Formula
C18H30O
SMILES
CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)O)C(C)(C)C
InChI
InChI=1S/C18H30O/c1-16(2,3)12-18(7,8)13-9-10-15(19)14(11-13)17(4,5)6/h9-11,19H,12H2,1-8H3
InChIKey
AXULBNVQAIUGAS-UHFFFAOYSA-N
Compound name
2-tert-butyl-4-(2,4,4-trimethylpentan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

23
Patents

262.22968 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.236956 165.0
[M+Na]+ 285.218898 171.6
[M-H]- 261.222404 167.5
[M+NH4]+ 280.263503 182.3
[M+K]+ 301.192838 168.8
[M+H-H2O]+ 245.226940 160.6
[M+HCOO]- 307.227881 180.7
[M+CH3COO]- 321.243531 200.4
[M+Na-2H]- 283.204346 169.5
[M]+ 262.22913142 167.1
[M]- 262.23022858 167.1
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