CID 12277002

Cadmium epoxyoctadecanoate

Structural Information

Molecular Formula
C18H34O3
SMILES
CCCCCCCCCCCCCCCC1C(O1)C(=O)O
InChI
InChI=1S/C18H34O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(21-16)18(19)20/h16-17H,2-15H2,1H3,(H,19,20)
InChIKey
PXNTUSQLBMEDQF-UHFFFAOYSA-N
Compound name
3-pentadecyloxirane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

352
Patents

298.2508 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.25808 176.3
[M+Na]+ 321.24002 181.2
[M-H]- 297.24352 178.6
[M+NH4]+ 316.28462 185.4
[M+K]+ 337.21396 177.8
[M+H-H2O]+ 281.24806 168.8
[M+HCOO]- 343.24900 194.1
[M+CH3COO]- 357.26465 208.1
[M+Na-2H]- 319.22547 176.7
[M]+ 298.25025 185.4
[M]- 298.25135 185.4
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