CID 2724554

Tetracosanedioic acid

Structural Information

Molecular Formula
C24H46O4
SMILES
C(CCCCCCCCCCCC(=O)O)CCCCCCCCCCC(=O)O
InChI
InChI=1S/C24H46O4/c25-23(26)21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24(27)28/h1-22H2,(H,25,26)(H,27,28)
InChIKey
QXGVRGZJILVMDF-UHFFFAOYSA-N
Compound name
tetracosanedioic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

2428
Patents

398.3396 Da
Monoisotopic Mass

9.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.34688 210.3
[M+Na]+ 421.32882 209.0
[M-H]- 397.33232 204.3
[M+NH4]+ 416.37342 207.9
[M+K]+ 437.30276 204.1
[M+H-H2O]+ 381.33686 202.5
[M+HCOO]- 443.33780 217.2
[M+CH3COO]- 457.35345 223.3
[M+Na-2H]- 419.31427 204.4
[M]+ 398.33905 217.6
[M]- 398.34015 217.6
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