CID 79658

5530-30-3

Structural Information

Molecular Formula
C18H30O
SMILES
CCCCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
InChI
InChI=1S/C18H30O/c1-8-9-10-13-11-14(17(2,3)4)16(19)15(12-13)18(5,6)7/h11-12,19H,8-10H2,1-7H3
InChIKey
WTWGHNZAQVTLSQ-UHFFFAOYSA-N
Compound name
4-butyl-2,6-ditert-butylphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

13771
Patents

262.22968 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.23696 166.1
[M+Na]+ 285.21890 173.2
[M-H]- 261.22240 168.6
[M+NH4]+ 280.26350 183.6
[M+K]+ 301.19284 169.9
[M+H-H2O]+ 245.22694 161.3
[M+HCOO]- 307.22788 183.3
[M+CH3COO]- 321.24353 201.0
[M+Na-2H]- 283.20435 168.8
[M]+ 262.22913 169.0
[M]- 262.23023 169.0
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