CID 14355861

Premnaspirodiene

Structural Information

Molecular Formula
C15H24
SMILES
C[C@@H]1CCC=C([C@]12CC[C@H](C2)C(=C)C)C
InChI
InChI=1S/C15H24/c1-11(2)14-8-9-15(10-14)12(3)6-5-7-13(15)4/h6,13-14H,1,5,7-10H2,2-4H3/t13-,14-,15-/m1/s1
InChIKey
WEZDOYDDKIHCLM-RBSFLKMASA-N
Compound name
(3R,5S,6R)-6,10-dimethyl-3-prop-1-en-2-ylspiro[4.5]dec-9-ene
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

194
Patents

204.1878 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.19508 150.6
[M+Na]+ 227.17702 156.2
[M-H]- 203.18052 155.7
[M+NH4]+ 222.22162 174.1
[M+K]+ 243.15096 152.8
[M+H-H2O]+ 187.18506 145.5
[M+HCOO]- 249.18600 168.8
[M+CH3COO]- 263.20165 188.6
[M+Na-2H]- 225.16247 150.7
[M]+ 204.18725 145.4
[M]- 204.18835 145.4
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