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
1
Annotation Hits

0
References

0
Patents

317.29782 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.30510 188.0
[M+Na]+ 340.28704 190.4
[M-H]- 316.29054 190.5
[M+NH4]+ 335.33164 196.2
[M+K]+ 356.26098 188.4
[M+H-H2O]+ 300.29508 179.2
[M+HCOO]- 362.29602 203.9
[M+CH3COO]- 376.31167 214.2
[M+Na-2H]- 338.27249 190.3
[M]+ 317.29727 198.5
[M]- 317.29837 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.