CID 1796220

(+)-longifolene

Structural Information

Molecular Formula
C15H24
SMILES
C[C@]12CCCC([C@@H]3[C@H]1CC[C@@H]3C2=C)(C)C
InChI
InChI=1S/C15H24/c1-10-11-6-7-12-13(11)14(2,3)8-5-9-15(10,12)4/h11-13H,1,5-9H2,2-4H3/t11-,12-,13+,15-/m1/s1
InChIKey
PDSNLYSELAIEBU-GUIRCDHDSA-N
Compound name
(1R,2S,7S,9S)-3,3,7-trimethyl-8-methylidenetricyclo[5.4.0.02,9]undecane
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

52
References

6138
Patents

204.1878 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.19508 150.3
[M+Na]+ 227.17702 156.7
[M-H]- 203.18052 155.5
[M+NH4]+ 222.22162 177.6
[M+K]+ 243.15096 152.7
[M+H-H2O]+ 187.18506 146.8
[M+HCOO]- 249.18600 166.6
[M+CH3COO]- 263.20165 162.3
[M+Na-2H]- 225.16247 151.5
[M]+ 204.18725 144.8
[M]- 204.18835 144.8
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

patents stripe