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

13
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

patents stripe