CID 14165900

Cycloaraneosene

Structural Information

Molecular Formula
C20H32
SMILES
C[C@@H]1CC[C@@H]2[C@@H]1C[C@@]3(CCC(=C3CCC2=C)C(C)C)C
InChI
InChI=1S/C20H32/c1-13(2)16-10-11-20(5)12-18-15(4)6-8-17(18)14(3)7-9-19(16)20/h13,15,17-18H,3,6-12H2,1-2,4-5H3/t15-,17+,18-,20+/m1/s1
InChIKey
RROMSRXZXPWQPJ-QEEHTWDDSA-N
Compound name
(1R,3S,11R,14R)-3,14-dimethyl-10-methylidene-6-propan-2-yltricyclo[9.3.0.03,7]tetradec-6-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

272.2504 Da
Monoisotopic Mass

5.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.25768 187.3
[M+Na]+ 295.23962 191.4
[M-H]- 271.24312 189.4
[M+NH4]+ 290.28422 197.9
[M+K]+ 311.21356 189.7
[M+H-H2O]+ 255.24766 183.6
[M+HCOO]- 317.24860 193.1
[M+CH3COO]- 331.26425 190.2
[M+Na-2H]- 293.22507 181.2
[M]+ 272.24985 184.8
[M]- 272.25095 184.8
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.