CID 129854334

1794941-80-2

Structural Information

Molecular Formula
C19H36O3
SMILES
[2H]C(CCCCCCCCCCCC)C([2H])([2H])C([2H])([2H])C(=O)OCC1CO1
InChI
InChI=1S/C19H36O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(20)22-17-18-16-21-18/h18H,2-17H2,1H3/i13D,14D2,15D2
InChIKey
KYVUJPJYTYQNGJ-OHSHDQBZSA-N
Compound name
oxiran-2-ylmethyl 2,2,3,3,4-pentadeuteriohexadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

930
Patents

317.29782 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.305096 188.0
[M+Na]+ 340.287038 190.4
[M-H]- 316.290544 190.5
[M+NH4]+ 335.331643 196.2
[M+K]+ 356.260978 188.4
[M+H-H2O]+ 300.295080 179.2
[M+HCOO]- 362.296021 203.9
[M+CH3COO]- 376.311671 214.2
[M+Na-2H]- 338.272486 190.3
[M]+ 317.29727142 198.5
[M]- 317.29836858 198.5
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

No patent data available for this compound.