CID 62557

2,6-bis(1-methylheptadecyl)-p-cresol

Structural Information

Molecular Formula
C43H80O
SMILES
CCCCCCCCCCCCCCCCC(C)C1=CC(=CC(=C1O)C(C)CCCCCCCCCCCCCCCC)C
InChI
InChI=1S/C43H80O/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-39(4)41-36-38(3)37-42(43(41)44)40(5)35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h36-37,39-40,44H,6-35H2,1-5H3
InChIKey
GXUYCJJDHBJKHA-UHFFFAOYSA-N
Compound name
4-methyl-2,6-di(octadecan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

243
Patents

612.6209 Da
Monoisotopic Mass

20.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 613.62818 277.5
[M+Na]+ 635.61012 270.8
[M+NH4]+ 630.65472 267.4
[M+K]+ 651.58406 269.4
[M-H]- 611.61362 250.7
[M+Na-2H]- 633.59557 274.8
[M]+ 612.62035 265.0
[M]- 612.62145 265.0
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