CID 10905112

(2-hydroxy-4-oxohenicosyl) acetate

Structural Information

Molecular Formula
C23H44O4
SMILES
CCCCCCCCCCCCCCCCCC(=O)CC(COC(=O)C)O
InChI
InChI=1S/C23H44O4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(25)19-23(26)20-27-21(2)24/h23,26H,3-20H2,1-2H3
InChIKey
ZLVJJMWEIHRVLD-UHFFFAOYSA-N
Compound name
(2-hydroxy-4-oxohenicosyl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

384.32397 Da
Monoisotopic Mass

7.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.331246 206.9
[M+Na]+ 407.313188 206.4
[M-H]- 383.316694 202.7
[M+NH4]+ 402.357793 208.7
[M+K]+ 423.287128 203.1
[M+H-H2O]+ 367.321230 199.3
[M+HCOO]- 429.322171 213.9
[M+CH3COO]- 443.337821 223.1
[M+Na-2H]- 405.298636 200.7
[M]+ 384.32342142 215.0
[M]- 384.32451858 215.0
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