CID 116679

70703-47-8

Structural Information

Molecular Formula
C23H44O5
SMILES
CCCCCCC(CCCCCCCCCCC(=O)OCCOC)OC(=O)C
InChI
InChI=1S/C23H44O5/c1-4-5-6-13-16-22(28-21(2)24)17-14-11-9-7-8-10-12-15-18-23(25)27-20-19-26-3/h22H,4-20H2,1-3H3
InChIKey
QVEPPTMINGAUIA-UHFFFAOYSA-N
Compound name
2-methoxyethyl 12-acetyloxyoctadecanoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

400.31888 Da
Monoisotopic Mass

7.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.32616 209.3
[M+Na]+ 423.30810 209.3
[M-H]- 399.31160 202.0
[M+NH4]+ 418.35270 215.5
[M+K]+ 439.28204 207.4
[M+H-H2O]+ 383.31614 201.3
[M+HCOO]- 445.31708 219.5
[M+CH3COO]- 459.33273 226.8
[M+Na-2H]- 421.29355 203.8
[M]+ 400.31833 212.7
[M]- 400.31943 212.7
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.