CID 113237

2,6-dinonyl-p-cresol

Structural Information

Molecular Formula
C25H44O
SMILES
CCCCCCCCCC1=CC(=CC(=C1O)CCCCCCCCC)C
InChI
InChI=1S/C25H44O/c1-4-6-8-10-12-14-16-18-23-20-22(3)21-24(25(23)26)19-17-15-13-11-9-7-5-2/h20-21,26H,4-19H2,1-3H3
InChIKey
UXMKUNDWNZNECH-UHFFFAOYSA-N
Compound name
4-methyl-2,6-di(nonyl)phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

7783
Patents

360.3392 Da
Monoisotopic Mass

11.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.34648 199.0
[M+Na]+ 383.32842 209.8
[M+NH4]+ 378.37302 205.6
[M+K]+ 399.30236 199.3
[M-H]- 359.33192 200.9
[M+Na-2H]- 381.31387 201.8
[M]+ 360.33865 201.1
[M]- 360.33975 201.1
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