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

5408
Patents

240.24532 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.252596 163.3
[M+Na]+ 263.234538 168.5
[M-H]- 239.238044 166.9
[M+NH4]+ 258.279143 175.3
[M+K]+ 279.208478 166.3
[M+H-H2O]+ 223.242580 155.7
[M+HCOO]- 285.243521 183.6
[M+CH3COO]- 299.259171 200.3
[M+Na-2H]- 261.219986 166.9
[M]+ 240.24477142 171.4
[M]- 240.24586858 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

literature stripe

Patent stripe

patents stripe