CID 3067888

Brn 5277533

Structural Information

Molecular Formula
C23H40O3
SMILES
COC1CCC(CC1)C2CC(OC3C2CCCC3)C4CCC(CC4)OC
InChI
InChI=1S/C23H40O3/c1-24-18-11-7-16(8-12-18)21-15-23(17-9-13-19(25-2)14-10-17)26-22-6-4-3-5-20(21)22/h16-23H,3-15H2,1-2H3
InChIKey
UHQUHBMNMDCXBQ-UHFFFAOYSA-N
Compound name
2,4-bis(4-methoxycyclohexyl)-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.29776 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.30504 193.5
[M+Na]+ 387.28698 191.0
[M-H]- 363.29048 200.5
[M+NH4]+ 382.33158 204.4
[M+K]+ 403.26092 188.6
[M+H-H2O]+ 347.29502 183.5
[M+HCOO]- 409.29596 199.3
[M+CH3COO]- 423.31161 217.7
[M+Na-2H]- 385.27243 188.8
[M]+ 364.29721 182.0
[M]- 364.29831 182.0
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.