CID 21351044

3chcaameoch

Structural Information

Molecular Formula
C17H30O3
SMILES
CCCC1CCC(CC1)C(=O)OC2CCC(CC2)OC
InChI
InChI=1S/C17H30O3/c1-3-4-13-5-7-14(8-6-13)17(18)20-16-11-9-15(19-2)10-12-16/h13-16H,3-12H2,1-2H3
InChIKey
DTRYBYIAXOIPNY-UHFFFAOYSA-N
Compound name
(4-methoxycyclohexyl) 4-propylcyclohexane-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

282.21948 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.22676 171.2
[M+Na]+ 305.20870 172.0
[M-H]- 281.21220 175.5
[M+NH4]+ 300.25330 186.5
[M+K]+ 321.18264 170.3
[M+H-H2O]+ 265.21674 163.5
[M+HCOO]- 327.21768 185.6
[M+CH3COO]- 341.23333 201.0
[M+Na-2H]- 303.19415 169.0
[M]+ 282.21893 166.4
[M]- 282.22003 166.4
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