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

4
Annotation Hits: 4
References: 6426
Patents: 370.30832 Da
Monoisotopic Mass: 8.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	371.31560	199.4
[M+Na]+	393.29754	204.1
[M+NH4]+	388.34214	206.8
[M+K]+	409.27148	197.6
[M-H]-	369.30104	195.2
[M+Na-2H]-	391.28299	196.4
[M]+	370.30777	198.3
[M]-	370.30887	198.3

Literature stripe

literature stripe

Patent stripe

patents stripe