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

1925
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 180.6
[M+Na]+ 303.30222 182.1
[M-H]- 279.30572 181.5
[M+NH4]+ 298.34682 198.5
[M+K]+ 319.27616 178.0
[M+H-H2O]+ 263.31026 173.5
[M+HCOO]- 325.31120 199.1
[M+CH3COO]- 339.32685 206.7
[M+Na-2H]- 301.28767 177.7
[M]+ 280.31245 182.6
[M]- 280.31355 182.6
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.