CID 11458526

249297-16-3

Structural Information

Molecular Formula
C13H24O2
SMILES
C[C@@H]1CC[C@H]([C@@H](C1)OCC2CO2)C(C)C
InChI
InChI=1S/C13H24O2/c1-9(2)12-5-4-10(3)6-13(12)15-8-11-7-14-11/h9-13H,4-8H2,1-3H3/t10-,11?,12+,13-/m1/s1
InChIKey
IZZBZFTTXPTJDE-IBSWDFHHSA-N
Compound name
2-[[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxymethyl]oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

212.17763 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.18491 149.3
[M+Na]+ 235.16685 161.3
[M+NH4]+ 230.21145 158.4
[M+K]+ 251.14079 157.1
[M-H]- 211.17035 160.4
[M+Na-2H]- 233.15230 156.1
[M]+ 212.17708 155.2
[M]- 212.17818 155.2
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

patents stripe