CID 78004

4306-88-1

Structural Information

Molecular Formula
C23H40O
SMILES
CCCCCCCCCC1=CC(=C(C(=C1)C(C)(C)C)O)C(C)(C)C
InChI
InChI=1S/C23H40O/c1-8-9-10-11-12-13-14-15-18-16-19(22(2,3)4)21(24)20(17-18)23(5,6)7/h16-17,24H,8-15H2,1-7H3
InChIKey
VQQLTEBUMLSLFJ-UHFFFAOYSA-N
Compound name
2,6-ditert-butyl-4-nonylphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1546
Patents

332.30792 Da
Monoisotopic Mass

9.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.31520 190.6
[M+Na]+ 355.29714 201.2
[M+NH4]+ 350.34174 197.2
[M+K]+ 371.27108 193.7
[M-H]- 331.30064 191.4
[M+Na-2H]- 353.28259 193.9
[M]+ 332.30737 192.5
[M]- 332.30847 192.5
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