CID 22886322

279246-66-1

Structural Information

Molecular Formula
C27H50O
SMILES
CCCCCC1CCC(CC1)OCC2CCC(CC2)C3CCC(CC3)CCC
InChI
InChI=1S/C27H50O/c1-3-5-6-8-23-13-19-27(20-14-23)28-21-24-11-17-26(18-12-24)25-15-9-22(7-4-2)10-16-25/h22-27H,3-21H2,1-2H3
InChIKey
ONFNOXJBMJJMSQ-UHFFFAOYSA-N
Compound name
1-[(4-pentylcyclohexyl)oxymethyl]-4-(4-propylcyclohexyl)cyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

390.38617 Da
Monoisotopic Mass

10.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.39345 207.5
[M+Na]+ 413.37539 203.0
[M-H]- 389.37889 212.2
[M+NH4]+ 408.41999 217.8
[M+K]+ 429.34933 197.8
[M+H-H2O]+ 373.38343 197.1
[M+HCOO]- 435.38437 215.7
[M+CH3COO]- 449.40002 225.3
[M+Na-2H]- 411.36084 199.4
[M]+ 390.38562 197.7
[M]- 390.38672 197.7
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