CID 101297699

Ent-atiserene

Structural Information

Molecular Formula
C20H32
SMILES
C[C@@]12CCCC([C@H]1CC[C@]34[C@H]2C[C@H](CC3)C(=C)C4)(C)C
InChI
InChI=1S/C20H32/c1-14-13-20-10-6-15(14)12-17(20)19(4)9-5-8-18(2,3)16(19)7-11-20/h15-17H,1,5-13H2,2-4H3/t15-,16+,17-,19+,20+/m0/s1
InChIKey
LFRRHLVVLXYROS-YQXATGRUSA-N
Compound name
(1R,4R,9R,10R,12S)-5,5,9-trimethyl-13-methylidenetetracyclo[10.2.2.01,10.04,9]hexadecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

272.2504 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.257676 168.3
[M+Na]+ 295.239618 170.9
[M-H]- 271.243124 166.7
[M+NH4]+ 290.284223 195.0
[M+K]+ 311.213558 164.5
[M+H-H2O]+ 255.247660 158.5
[M+HCOO]- 317.248601 170.6
[M+CH3COO]- 331.264251 175.5
[M+Na-2H]- 293.225066 173.8
[M]+ 272.24985142 161.9
[M]- 272.25094858 161.9
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