CID 107873

(1r,2s)-1-heptyl-2-octylcyclopentane

Structural Information

Molecular Formula
C20H40
SMILES
CCCCCCCC[C@H]1CCC[C@H]1CCCCCCC
InChI
InChI=1S/C20H40/c1-3-5-7-9-11-13-16-20-18-14-17-19(20)15-12-10-8-6-4-2/h19-20H,3-18H2,1-2H3/t19-,20+/m1/s1
InChIKey
UKVVPDHLUHAJNZ-UXHICEINSA-N
Compound name
(1R,2S)-1-heptyl-2-octylcyclopentane
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

1922
References

0
Patents

280.313 Da
Monoisotopic Mass

10.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.32028 178.8
[M+Na]+ 303.30222 187.1
[M+NH4]+ 298.34682 186.8
[M+K]+ 319.27616 179.1
[M-H]- 279.30572 180.6
[M+Na-2H]- 301.28767 180.7
[M]+ 280.31245 180.3
[M]- 280.31355 180.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.