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

30
Patents

212.17763 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.184906 149.8
[M+Na]+ 235.166848 156.1
[M-H]- 211.170354 157.2
[M+NH4]+ 230.211453 162.8
[M+K]+ 251.140788 155.6
[M+H-H2O]+ 195.174890 142.9
[M+HCOO]- 257.175831 167.6
[M+CH3COO]- 271.191481 193.0
[M+Na-2H]- 233.152296 152.1
[M]+ 212.17708142 151.8
[M]- 212.17817858 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