CID 57356699

Tetradecyl hydrogen azelate

Structural Information

Molecular Formula
C23H44O4
SMILES
CCCCCCCCCCCCCCOC(=O)CCCCCCCC(=O)O
InChI
InChI=1S/C23H44O4/c1-2-3-4-5-6-7-8-9-10-11-15-18-21-27-23(26)20-17-14-12-13-16-19-22(24)25/h2-21H2,1H3,(H,24,25)
InChIKey
SWJZZQVADSNNAS-UHFFFAOYSA-N
Compound name
9-oxo-9-tetradecoxynonanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

384.32397 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.331246 206.1
[M+Na]+ 407.313188 205.9
[M-H]- 383.316694 201.9
[M+NH4]+ 402.357793 207.6
[M+K]+ 423.287128 202.1
[M+H-H2O]+ 367.321230 198.4
[M+HCOO]- 429.322171 216.7
[M+CH3COO]- 443.337821 222.3
[M+Na-2H]- 405.298636 201.3
[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

No literature data available for this compound.

Patent stripe

patents stripe