CID 89596

2-pentadecyloxirane

Structural Information

Molecular Formula
C17H34O
SMILES
CCCCCCCCCCCCCCCC1CO1
InChI
InChI=1S/C17H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-16-18-17/h17H,2-16H2,1H3
InChIKey
XSNXNMMWBCZUSS-UHFFFAOYSA-N
Compound name
2-pentadecyloxirane
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1176
Patents

254.26097 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.26825 167.5
[M+Na]+ 277.25019 172.3
[M-H]- 253.25369 170.9
[M+NH4]+ 272.29479 179.0
[M+K]+ 293.22413 169.8
[M+H-H2O]+ 237.25823 159.7
[M+HCOO]- 299.25917 187.4
[M+CH3COO]- 313.27482 203.1
[M+Na-2H]- 275.23564 170.6
[M]+ 254.26042 175.9
[M]- 254.26152 175.9
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