CID 42608200

5,10-epoxy-muurolane

Structural Information

Molecular Formula
C15H24O
SMILES
CC1=C2[C@@H]3[C@H](CC[C@@]([C@@H]3CC1)(O2)C)C(C)C
InChI
InChI=1S/C15H24O/c1-9(2)11-7-8-15(4)12-6-5-10(3)14(16-15)13(11)12/h9,11-13H,5-8H2,1-4H3/t11-,12-,13-,15+/m1/s1
InChIKey
OAXPUWUDEOULDN-BHPKHCPMSA-N
Compound name
(3S,6R,7R,8R)-3,11-dimethyl-6-propan-2-yl-2-oxatricyclo[5.4.0.03,8]undec-1(11)-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.18271 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.18999 153.0
[M+Na]+ 243.17193 159.2
[M-H]- 219.17543 157.2
[M+NH4]+ 238.21653 176.7
[M+K]+ 259.14587 157.2
[M+H-H2O]+ 203.17997 148.1
[M+HCOO]- 265.18091 167.3
[M+CH3COO]- 279.19656 194.3
[M+Na-2H]- 241.15738 155.7
[M]+ 220.18216 151.8
[M]- 220.18326 151.8
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.