CID 10104368

(+)-alpha-pinguisene

Structural Information

Molecular Formula
C15H24
SMILES
C[C@@H]1CC[C@@]2([C@]1(CC=C([C@H]2C)C=C)C)C
InChI
InChI=1S/C15H24/c1-6-13-8-10-14(4)11(2)7-9-15(14,5)12(13)3/h6,8,11-12H,1,7,9-10H2,2-5H3/t11-,12-,14+,15+/m1/s1
InChIKey
PFLVCUHFTYXGSL-UXOAXIEHSA-N
Compound name
(1R,3aS,4R,7aS)-5-ethenyl-1,3a,4,7a-tetramethyl-2,3,4,7-tetrahydro-1H-indene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.1878 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.19508 147.4
[M+Na]+ 227.17702 155.7
[M-H]- 203.18052 151.9
[M+NH4]+ 222.22162 174.1
[M+K]+ 243.15096 151.8
[M+H-H2O]+ 187.18506 143.5
[M+HCOO]- 249.18600 166.4
[M+CH3COO]- 263.20165 189.8
[M+Na-2H]- 225.16247 150.5
[M]+ 204.18725 145.6
[M]- 204.18835 145.6
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.