CID 108445

2,5-di-sec-dodecylhydroquinone

Structural Information

Molecular Formula
C30H54O2
SMILES
CCCCCCCCCCC(C)C1=CC(=C(C=C1O)C(C)CCCCCCCCCC)O
InChI
InChI=1S/C30H54O2/c1-5-7-9-11-13-15-17-19-21-25(3)27-23-30(32)28(24-29(27)31)26(4)22-20-18-16-14-12-10-8-6-2/h23-26,31-32H,5-22H2,1-4H3
InChIKey
NWUNKFTVLXWQQC-UHFFFAOYSA-N
Compound name
2,5-di(dodecan-2-yl)benzene-1,4-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

368
Patents

446.41238 Da
Monoisotopic Mass

13.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 447.41966 224.7
[M+Na]+ 469.40160 232.7
[M+NH4]+ 464.44620 229.2
[M+K]+ 485.37554 223.5
[M-H]- 445.40510 224.9
[M+Na-2H]- 467.38705 224.4
[M]+ 446.41183 225.7
[M]- 446.41293 225.7
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