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

54
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

literature stripe

Patent stripe

patents stripe