CID 68775073

Schembl3757907

Structural Information

Molecular Formula
C24H42O
SMILES
CC(C)CC(C)CC(C)C1=CC(=C(C=C1)O)C(C)CC(C)CC(C)C
InChI
InChI=1S/C24H42O/c1-16(2)11-18(5)13-20(7)22-9-10-24(25)23(15-22)21(8)14-19(6)12-17(3)4/h9-10,15-21,25H,11-14H2,1-8H3
InChIKey
DKKHTSKKJBLEDC-UHFFFAOYSA-N
Compound name
2,4-bis(4,6-dimethylheptan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

346.32358 Da
Monoisotopic Mass

9.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.33086 194.3
[M+Na]+ 369.31280 195.4
[M-H]- 345.31630 194.8
[M+NH4]+ 364.35740 207.1
[M+K]+ 385.28674 192.6
[M+H-H2O]+ 329.32084 187.5
[M+HCOO]- 391.32178 206.6
[M+CH3COO]- 405.33743 223.2
[M+Na-2H]- 367.29825 185.3
[M]+ 346.32303 196.3
[M]- 346.32413 196.3
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