CID 5743975

2,3-dihexyloxirane

Structural Information

Molecular Formula
C14H28O
SMILES
CCCCCCC1C(O1)CCCCCC
InChI
InChI=1S/C14H28O/c1-3-5-7-9-11-13-14(15-13)12-10-8-6-4-2/h13-14H,3-12H2,1-2H3
InChIKey
NAPIHVDJYKONON-UHFFFAOYSA-N
Compound name
2,3-dihexyloxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

52
Patents

212.21402 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.22130 154.4
[M+Na]+ 235.20324 161.3
[M-H]- 211.20674 158.8
[M+NH4]+ 230.24784 167.8
[M+K]+ 251.17718 159.5
[M+H-H2O]+ 195.21128 147.4
[M+HCOO]- 257.21222 175.2
[M+CH3COO]- 271.22787 195.6
[M+Na-2H]- 233.18869 158.4
[M]+ 212.21347 162.1
[M]- 212.21457 162.1
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.