CID 172407790

Ent-trachylobane

Structural Information

Molecular Formula
C20H32
SMILES
C[C@@]12CCCC([C@H]1CC[C@]34[C@H]2C[C@@H]5C(C3)C5(C4)C)(C)C
InChI
InChI=1S/C20H32/c1-17(2)7-5-8-18(3)15(17)6-9-20-11-14-13(10-16(18)20)19(14,4)12-20/h13-16H,5-12H2,1-4H3/t13-,14?,15-,16+,18-,19?,20+/m1/s1
InChIKey
JTJZAWZRQPNBLR-SCNFUHEASA-N
Compound name
(1S,4R,9R,10R,12R)-5,5,9,13-tetramethylpentacyclo[11.2.1.01,10.04,9.012,14]hexadecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.2504 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.25768 167.8
[M+Na]+ 295.23962 174.2
[M-H]- 271.24312 169.7
[M+NH4]+ 290.28422 193.0
[M+K]+ 311.21356 169.0
[M+H-H2O]+ 255.24766 159.3
[M+HCOO]- 317.24860 170.5
[M+CH3COO]- 331.26425 176.2
[M+Na-2H]- 293.22507 172.6
[M]+ 272.24985 168.6
[M]- 272.25095 168.6
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.