CID 42608149

1beta,10beta-epoxy-nardosinane

Structural Information

Molecular Formula
C15H24O
SMILES
C[C@@H]1CC[C@@H]2[C@]3([C@]1([C@@H](CCC3)C(=C)C)C)O2
InChI
InChI=1S/C15H24O/c1-10(2)12-6-5-9-15-13(16-15)8-7-11(3)14(12,15)4/h11-13H,1,5-9H2,2-4H3/t11-,12+,13-,14-,15-/m1/s1
InChIKey
LLQBOMCVABNZDR-XLWJZTARSA-N
Compound name
(1aR,4R,4aR,5S,8aS)-4,4a-dimethyl-5-prop-1-en-2-yl-1a,2,3,4,5,6,7,8-octahydronaphtho[1,8a-b]oxirene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.18271 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.18999 153.5
[M+Na]+ 243.17193 160.8
[M-H]- 219.17543 160.0
[M+NH4]+ 238.21653 171.3
[M+K]+ 259.14587 160.2
[M+H-H2O]+ 203.17997 148.1
[M+HCOO]- 265.18091 166.4
[M+CH3COO]- 279.19656 195.1
[M+Na-2H]- 241.15738 158.2
[M]+ 220.18216 153.2
[M]- 220.18326 153.2
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.