CID 9543670

Hexacosanedioic acid

Structural Information

Molecular Formula
C26H50O4
SMILES
C(CCCCCCCCCCCCC(=O)O)CCCCCCCCCCCC(=O)O
InChI
InChI=1S/C26H50O4/c27-25(28)23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26(29)30/h1-24H2,(H,27,28)(H,29,30)
InChIKey
JJWZFUFNJNGKAF-UHFFFAOYSA-N
Compound name
hexacosanedioic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

611
Patents

426.3709 Da
Monoisotopic Mass

10.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.37818 218.8
[M+Na]+ 449.36012 216.7
[M-H]- 425.36362 204.4
[M+NH4]+ 444.40472 215.1
[M+K]+ 465.33406 211.3
[M+H-H2O]+ 409.36816 210.7
[M+HCOO]- 471.36910 223.6
[M+CH3COO]- 485.38475 229.2
[M+Na-2H]- 447.34557 212.0
[M]+ 426.37035 216.5
[M]- 426.37145 216.5
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