CID 162995294

5,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4,4a,5,6,7,8,8a-octahydro-2h-chromen-6-ol

Structural Information

Molecular Formula
C28H54O2
SMILES
CC1C(C2C(CCC(O2)CCCC(C)CCCC(C)CCCC(C)C)C(C1O)C)C
InChI
InChI=1S/C28H54O2/c1-19(2)11-8-12-20(3)13-9-14-21(4)15-10-16-25-17-18-26-24(7)27(29)22(5)23(6)28(26)30-25/h19-29H,8-18H2,1-7H3
InChIKey
WIGCFUFOHFEKBI-UHFFFAOYSA-N
Compound name
5,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-chromen-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61786
Patents

422.41238 Da
Monoisotopic Mass

9.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 423.41966 215.9
[M+Na]+ 445.40160 222.9
[M+NH4]+ 440.44620 221.9
[M+K]+ 461.37554 215.9
[M-H]- 421.40510 218.2
[M+Na-2H]- 443.38705 212.6
[M]+ 422.41183 217.4
[M]- 422.41293 217.4
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