CID 68593

Methyl palmoxirate

Structural Information

Molecular Formula
C18H34O3
SMILES
CCCCCCCCCCCCCCC1(CO1)C(=O)OC
InChI
InChI=1S/C18H34O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-18(16-21-18)17(19)20-2/h3-16H2,1-2H3
InChIKey
RSSDZUNGAWCFPT-UHFFFAOYSA-N
Compound name
methyl 2-tetradecyloxirane-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

75
References

465
Patents

298.2508 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.25808 177.6
[M+Na]+ 321.24002 182.7
[M-H]- 297.24352 181.3
[M+NH4]+ 316.28462 189.1
[M+K]+ 337.21396 181.4
[M+H-H2O]+ 281.24806 171.0
[M+HCOO]- 343.24900 196.5
[M+CH3COO]- 357.26465 208.4
[M+Na-2H]- 319.22547 180.1
[M]+ 298.25025 188.4
[M]- 298.25135 188.4
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