CID 10775429

Isodihydroagarofuran

Structural Information

Molecular Formula
C15H26O
SMILES
C[C@H]1CCC[C@@]2([C@]13C[C@@H](CC2)C(O3)(C)C)C
InChI
InChI=1S/C15H26O/c1-11-6-5-8-14(4)9-7-12-10-15(11,14)16-13(12,2)3/h11-12H,5-10H2,1-4H3/t11-,12+,14-,15-/m0/s1
InChIKey
HVAVUZLEYSAYGE-NEBZKDRISA-N
Compound name
(1S,2S,6S,9R)-2,6,10,10-tetramethyl-11-oxatricyclo[7.2.1.01,6]dodecane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

222.19836 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.20564 152.4
[M+Na]+ 245.18758 159.0
[M-H]- 221.19108 156.8
[M+NH4]+ 240.23218 179.5
[M+K]+ 261.16152 156.8
[M+H-H2O]+ 205.19562 147.6
[M+HCOO]- 267.19656 165.8
[M+CH3COO]- 281.21221 164.4
[M+Na-2H]- 243.17303 157.8
[M]+ 222.19781 149.5
[M]- 222.19891 149.5
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.