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

447
Patents

206.16707 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.17435 149.1
[M+Na]+ 229.15629 156.2
[M-H]- 205.15979 151.7
[M+NH4]+ 224.20089 168.3
[M+K]+ 245.13023 153.7
[M+H-H2O]+ 189.16433 144.2
[M+HCOO]- 251.16527 168.2
[M+CH3COO]- 265.18092 188.7
[M+Na-2H]- 227.14174 152.4
[M]+ 206.16652 150.0
[M]- 206.16762 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