CID 24755580

5-propylideneisolongifolane

Structural Information

Molecular Formula
C18H30
SMILES
CC/C=C/1\CCC([C@]23C1C([C@H](C2)CC3)(C)C)(C)C
InChI
InChI=1S/C18H30/c1-6-7-13-8-10-16(2,3)18-11-9-14(12-18)17(4,5)15(13)18/h7,14-15H,6,8-12H2,1-5H3/b13-7+/t14-,15?,18-/m0/s1
InChIKey
PIEYHLVIMBTYAN-OCNADWHYSA-N
Compound name
(3S,6S,10E)-2,2,8,8-tetramethyl-10-propylidene-octahydro-1H-2,4a-methanonapthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.23476 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.24204 162.6
[M+Na]+ 269.22398 170.1
[M-H]- 245.22748 166.6
[M+NH4]+ 264.26858 192.1
[M+K]+ 285.19792 164.5
[M+H-H2O]+ 229.23202 158.7
[M+HCOO]- 291.23296 178.1
[M+CH3COO]- 305.24861 197.7
[M+Na-2H]- 267.20943 163.6
[M]+ 246.23421 160.4
[M]- 246.23531 160.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.