CID 15850060

29651-54-5

Structural Information

Molecular Formula
C24H32O2
SMILES
C1CCCCCC(CCCCC1)(C2=CC=C(C=C2)O)C3=CC=C(C=C3)O
InChI
InChI=1S/C24H32O2/c25-22-14-10-20(11-15-22)24(21-12-16-23(26)17-13-21)18-8-6-4-2-1-3-5-7-9-19-24/h10-17,25-26H,1-9,18-19H2
InChIKey
BHWMWBACMSEDTE-UHFFFAOYSA-N
Compound name
4-[1-(4-hydroxyphenyl)cyclododecyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5338
Patents

352.24023 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.24751 186.9
[M+Na]+ 375.22945 188.1
[M-H]- 351.23295 190.0
[M+NH4]+ 370.27405 196.5
[M+K]+ 391.20339 183.3
[M+H-H2O]+ 335.23749 181.3
[M+HCOO]- 397.23843 199.5
[M+CH3COO]- 411.25408 193.1
[M+Na-2H]- 373.21490 186.0
[M]+ 352.23968 174.2
[M]- 352.24078 174.2
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