CID 117445

Spiro[6h-3a,7-methanoazulene-6,2'-oxirane], octahydro-3,8,8-trimethyl-, (2'r,3r,3as,7r,8as)-

Structural Information

Molecular Formula
C15H24O
SMILES
C[C@@H]1CC[C@@H]2[C@]13CC[C@]4(CO4)[C@H](C3)C2(C)C
InChI
InChI=1S/C15H24O/c1-10-4-5-11-13(2,3)12-8-14(10,11)6-7-15(12)9-16-15/h10-12H,4-9H2,1-3H3/t10-,11+,12-,14+,15+/m1/s1
InChIKey
BWDPPCMUUFETAC-MIBAYGRRSA-N
Compound name
(1'S,2R,2'R,5'S,7'R)-2',6',6'-trimethylspiro[oxirane-2,8'-tricyclo[5.3.1.01,5]undecane]
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

220.18271 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.18999 152.1
[M+Na]+ 243.17193 161.6
[M-H]- 219.17543 159.6
[M+NH4]+ 238.21653 176.0
[M+K]+ 259.14587 159.7
[M+H-H2O]+ 203.17997 148.7
[M+HCOO]- 265.18091 165.9
[M+CH3COO]- 279.19656 164.7
[M+Na-2H]- 241.15738 156.5
[M]+ 220.18216 153.6
[M]- 220.18326 153.6
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.