CID 11971426

97552-69-7

Structural Information

Molecular Formula
C23H44O4
SMILES
CCCCCCCCCCCC(=O)OCC1COC(O1)C(CC)CCCC
InChI
InChI=1S/C23H44O4/c1-4-7-9-10-11-12-13-14-15-17-22(24)25-18-21-19-26-23(27-21)20(6-3)16-8-5-2/h20-21,23H,4-19H2,1-3H3
InChIKey
HGCKVGIEMOPPFY-UHFFFAOYSA-N
Compound name
(2-heptan-3-yl-1,3-dioxolan-4-yl)methyl dodecanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.32397 Da
Monoisotopic Mass

8.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.331246 208.2
[M+Na]+ 407.313188 208.2
[M-H]- 383.316694 209.9
[M+NH4]+ 402.357793 219.0
[M+K]+ 423.287128 207.4
[M+H-H2O]+ 367.321230 200.7
[M+HCOO]- 429.322171 222.9
[M+CH3COO]- 443.337821 223.3
[M+Na-2H]- 405.298636 203.4
[M]+ 384.32342142 216.2
[M]- 384.32451858 216.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.