CID 53677473

Prostenon

Structural Information

Molecular Formula
C20H36O
SMILES
CCCCCCCC[C@H]1CCC[C@@H]1CCCCC=CC=O
InChI
InChI=1S/C20H36O/c1-2-3-4-5-7-10-14-19-16-13-17-20(19)15-11-8-6-9-12-18-21/h9,12,18-20H,2-8,10-11,13-17H2,1H3/t19-,20-/m0/s1
InChIKey
BEFCBMIKRJYDPP-PMACEKPBSA-N
Compound name
7-[(1S,2S)-2-octylcyclopentyl]hept-2-enal
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

29952
References

3
Patents

292.2766 Da
Monoisotopic Mass

8.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.28388 181.1
[M+Na]+ 315.26582 183.3
[M-H]- 291.26932 182.1
[M+NH4]+ 310.31042 198.4
[M+K]+ 331.23976 178.4
[M+H-H2O]+ 275.27386 174.1
[M+HCOO]- 337.27480 200.3
[M+CH3COO]- 351.29045 206.2
[M+Na-2H]- 313.25127 178.3
[M]+ 292.27605 183.1
[M]- 292.27715 183.1
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

patents stripe