CID 11458526

Oxirane, ((((1r,2s,5r)-5-methyl-2-(1-methylethyl)cyclohexyl)oxy)methyl)-

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
2
Annotation Hits

0
References

32
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 149.8
[M+Na]+ 235.16685 156.1
[M-H]- 211.17035 157.2
[M+NH4]+ 230.21145 162.8
[M+K]+ 251.14079 155.6
[M+H-H2O]+ 195.17489 142.9
[M+HCOO]- 257.17583 167.6
[M+CH3COO]- 271.19148 193.0
[M+Na-2H]- 233.15230 152.1
[M]+ 212.17708 151.8
[M]- 212.17818 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

patents stripe