CID 244872

Docosanedioic acid

Structural Information

Molecular Formula
C22H42O4
SMILES
C(CCCCCCCCCCC(=O)O)CCCCCCCCCC(=O)O
InChI
InChI=1S/C22H42O4/c23-21(24)19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22(25)26/h1-20H2,(H,23,24)(H,25,26)
InChIKey
DGXRZJSPDXZJFG-UHFFFAOYSA-N
Compound name
docosanedioic acid
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

4
References

6423
Patents

370.30832 Da
Monoisotopic Mass

8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.315596 201.6
[M+Na]+ 393.297538 201.2
[M-H]- 369.301044 196.0
[M+NH4]+ 388.342143 200.6
[M+K]+ 409.271478 196.8
[M+H-H2O]+ 353.305580 194.2
[M+HCOO]- 415.306521 210.6
[M+CH3COO]- 429.322171 217.5
[M+Na-2H]- 391.282986 196.8
[M]+ 370.30777142 208.2
[M]- 370.30886858 208.2
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