CID 118288

2,4,6-tris(1-methyloctyl)phenol

Structural Information

Molecular Formula
C33H60O
SMILES
CCCCCCCC(C)C1=CC(=C(C(=C1)C(C)CCCCCCC)O)C(C)CCCCCCC
InChI
InChI=1S/C33H60O/c1-7-10-13-16-19-22-27(4)30-25-31(28(5)23-20-17-14-11-8-2)33(34)32(26-30)29(6)24-21-18-15-12-9-3/h25-29,34H,7-24H2,1-6H3
InChIKey
UQGUWEYJHWNXTQ-UHFFFAOYSA-N
Compound name
2,4,6-tri(nonan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

65
Patents

472.46442 Da
Monoisotopic Mass

14.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.47170 235.6
[M+Na]+ 495.45364 234.3
[M-H]- 471.45714 234.3
[M+NH4]+ 490.49824 243.6
[M+K]+ 511.42758 227.7
[M+H-H2O]+ 455.46168 226.7
[M+HCOO]- 517.46262 247.6
[M+CH3COO]- 531.47827 247.8
[M+Na-2H]- 493.43909 224.6
[M]+ 472.46387 243.0
[M]- 472.46497 243.0
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