CID 70180

903-19-5

Structural Information

Molecular Formula
C22H38O2
SMILES
CC(C)(C)CC(C)(C)C1=CC(=C(C=C1O)C(C)(C)CC(C)(C)C)O
InChI
InChI=1S/C22H38O2/c1-19(2,3)13-21(7,8)15-11-18(24)16(12-17(15)23)22(9,10)14-20(4,5)6/h11-12,23-24H,13-14H2,1-10H3
InChIKey
CLDZVCMRASJQFO-UHFFFAOYSA-N
Compound name
2,5-bis(2,4,4-trimethylpentan-2-yl)benzene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

5596
Patents

334.28717 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.294446 183.6
[M+Na]+ 357.276388 189.1
[M-H]- 333.279894 184.6
[M+NH4]+ 352.320993 197.5
[M+K]+ 373.250328 186.1
[M+H-H2O]+ 317.284430 179.4
[M+HCOO]- 379.285371 195.0
[M+CH3COO]- 393.301021 213.7
[M+Na-2H]- 355.261836 186.6
[M]+ 334.28662142 186.5
[M]- 334.28771858 186.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe