CID 3020831

2,6-bis(1-methyl-1-phenylethyl)-4-nonylphenol

Structural Information

Molecular Formula
C33H44O
SMILES
CCCCCCCCCC1=CC(=C(C(=C1)C(C)(C)C2=CC=CC=C2)O)C(C)(C)C3=CC=CC=C3
InChI
InChI=1S/C33H44O/c1-6-7-8-9-10-11-14-19-26-24-29(32(2,3)27-20-15-12-16-21-27)31(34)30(25-26)33(4,5)28-22-17-13-18-23-28/h12-13,15-18,20-25,34H,6-11,14,19H2,1-5H3
InChIKey
SJNUIPWTKYVVGI-UHFFFAOYSA-N
Compound name
4-nonyl-2,6-bis(2-phenylpropan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

456.3392 Da
Monoisotopic Mass

11.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 457.34648 222.2
[M+Na]+ 479.32842 224.6
[M-H]- 455.33192 228.6
[M+NH4]+ 474.37302 229.9
[M+K]+ 495.30236 216.9
[M+H-H2O]+ 439.33646 211.8
[M+HCOO]- 501.33740 236.5
[M+CH3COO]- 515.35305 238.0
[M+Na-2H]- 477.31387 221.4
[M]+ 456.33865 224.5
[M]- 456.33975 224.5
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