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
2
Annotation Hits

0
References

4976
Patents

352.24023 Da
Monoisotopic Mass

8.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.247506 186.9
[M+Na]+ 375.229448 188.1
[M-H]- 351.232954 190.0
[M+NH4]+ 370.274053 196.5
[M+K]+ 391.203388 183.3
[M+H-H2O]+ 335.237490 181.3
[M+HCOO]- 397.238431 199.5
[M+CH3COO]- 411.254081 193.1
[M+Na-2H]- 373.214896 186.0
[M]+ 352.23968142 174.2
[M]- 352.24077858 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