CID 44144782

96097-19-7

Structural Information

Molecular Formula
C26H50O2
SMILES
CCCCCCCCCCCCCCCC(=O)O[C@H]1C[C@H](CC[C@@H]1C(C)C)C
InChI
InChI=1S/C26H50O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26(27)28-25-21-23(4)19-20-24(25)22(2)3/h22-25H,5-21H2,1-4H3/t23-,24+,25-/m0/s1
InChIKey
VGLJQMIPINKCBI-GVAUOCQISA-N
Compound name
[(1S,2R,5S)-5-methyl-2-propan-2-ylcyclohexyl] hexadecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.38107 Da
Monoisotopic Mass

10.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.38835 208.7
[M+Na]+ 417.37029 215.6
[M+NH4]+ 412.41489 214.3
[M+K]+ 433.34423 207.1
[M-H]- 393.37379 209.3
[M+Na-2H]- 415.35574 208.2
[M]+ 394.38052 209.6
[M]- 394.38162 209.6
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.