CID 103601

4-sec-butyl-2-tert-butylphenol

Structural Information

Molecular Formula
C14H22O
SMILES
CCC(C)C1=CC(=C(C=C1)O)C(C)(C)C
InChI
InChI=1S/C14H22O/c1-6-10(2)11-7-8-13(15)12(9-11)14(3,4)5/h7-10,15H,6H2,1-5H3
InChIKey
YHMYLDCYUHBSNP-UHFFFAOYSA-N
Compound name
4-butan-2-yl-2-tert-butylphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

441
Patents

206.16707 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.174346 149.1
[M+Na]+ 229.156288 156.2
[M-H]- 205.159794 151.7
[M+NH4]+ 224.200893 168.3
[M+K]+ 245.130228 153.7
[M+H-H2O]+ 189.164330 144.2
[M+HCOO]- 251.165271 168.2
[M+CH3COO]- 265.180921 188.7
[M+Na-2H]- 227.141736 152.4
[M]+ 206.16652142 150.0
[M]- 206.16761858 150.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe