CID 75502

Eicosanedioic acid

Structural Information

Molecular Formula
C20H38O4
SMILES
C(CCCCCCCCCC(=O)O)CCCCCCCCC(=O)O
InChI
InChI=1S/C20H38O4/c21-19(22)17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(23)24/h1-18H2,(H,21,22)(H,23,24)
InChIKey
JJOJFIHJIRWASH-UHFFFAOYSA-N
Compound name
icosanedioic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

4
References

13852
Patents

342.277 Da
Monoisotopic Mass

7.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.28428 192.9
[M+Na]+ 365.26622 193.3
[M-H]- 341.26972 187.7
[M+NH4]+ 360.31082 204.7
[M+K]+ 381.24016 189.4
[M+H-H2O]+ 325.27426 185.8
[M+HCOO]- 387.27520 208.3
[M+CH3COO]- 401.29085 211.6
[M+Na-2H]- 363.25167 189.1
[M]+ 342.27645 198.7
[M]- 342.27755 198.7
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