CID 22886327

Schembl14365576

Structural Information

Molecular Formula
C25H46O
SMILES
CCCC1CCC(CC1)C2CCC(CC2)COC3CCC(CC3)CCC
InChI
InChI=1S/C25H46O/c1-3-5-20-7-13-23(14-8-20)24-15-9-22(10-16-24)19-26-25-17-11-21(6-4-2)12-18-25/h20-25H,3-19H2,1-2H3
InChIKey
ADSRPRBWAAZCRX-UHFFFAOYSA-N
Compound name
1-propyl-4-[[4-(4-propylcyclohexyl)cyclohexyl]methoxy]cyclohexane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

362.35486 Da
Monoisotopic Mass

9.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.36214 199.0
[M+Na]+ 385.34408 195.4
[M-H]- 361.34758 204.2
[M+NH4]+ 380.38868 210.5
[M+K]+ 401.31802 190.6
[M+H-H2O]+ 345.35212 189.0
[M+HCOO]- 407.35306 207.9
[M+CH3COO]- 421.36871 219.5
[M+Na-2H]- 383.32953 192.0
[M]+ 362.35431 188.5
[M]- 362.35541 188.5
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