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
4
Annotation Hits

922
References

958
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 200.3
[M-H]- 375.29048 199.4
[M+NH4]+ 394.33158 208.9
[M+K]+ 415.26092 194.7
[M+H-H2O]+ 359.29502 191.3
[M+HCOO]- 421.29596 209.6
[M+CH3COO]- 435.31161 216.9
[M+Na-2H]- 397.27243 195.3
[M]+ 376.29721 196.8
[M]- 376.29831 196.8
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

No patent data available for this compound.