CID 23741

1,2-epoxyhexadecane

Structural Information

Molecular Formula
C16H32O
SMILES
CCCCCCCCCCCCCCC1CO1
InChI
InChI=1S/C16H32O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-15-17-16/h16H,2-15H2,1H3
InChIKey
DSZTYVZOIUIIGA-UHFFFAOYSA-N
Compound name
2-tetradecyloxirane
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

3
References

5390
Patents

240.24532 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.25260 163.3
[M+Na]+ 263.23454 168.5
[M-H]- 239.23804 166.9
[M+NH4]+ 258.27914 175.3
[M+K]+ 279.20848 166.3
[M+H-H2O]+ 223.24258 155.7
[M+HCOO]- 285.24352 183.6
[M+CH3COO]- 299.25917 200.3
[M+Na-2H]- 261.21999 166.9
[M]+ 240.24477 171.4
[M]- 240.24587 171.4
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.