CID 104895

Cp55940

Structural Information

Molecular Formula
C24H40O3
SMILES
CCCCCCC(C)(C)C1=CC(=C(C=C1)[C@@H]2C[C@@H](CC[C@H]2CCCO)O)O
InChI
InChI=1S/C24H40O3/c1-4-5-6-7-14-24(2,3)19-11-13-21(23(27)16-19)22-17-20(26)12-10-18(22)9-8-15-25/h11,13,16,18,20,22,25-27H,4-10,12,14-15,17H2,1-3H3/t18-,20-,22-/m1/s1
InChIKey
YNZFFALZMRAPHQ-SYYKKAFVSA-N
Compound name
2-[(1R,2R,5R)-5-hydroxy-2-(3-hydroxypropyl)cyclohexyl]-5-(2-methyloctan-2-yl)phenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

918
References

768
Patents

376.29776 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.30504 198.6
[M+Na]+ 399.28698 207.7
[M+NH4]+ 394.33158 204.3
[M+K]+ 415.26092 200.8
[M-H]- 375.29048 200.2
[M+Na-2H]- 397.27243 200.9
[M]+ 376.29721 200.2
[M]- 376.29831 200.2
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