CID 9543669

Tricosanedioic acid

Structural Information

Molecular Formula
C23H44O4
SMILES
C(CCCCCCCCCCC(=O)O)CCCCCCCCCCC(=O)O
InChI
InChI=1S/C23H44O4/c24-22(25)20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-21-23(26)27/h1-21H2,(H,24,25)(H,26,27)
InChIKey
QJXPRGZXRIIGOP-UHFFFAOYSA-N
Compound name
tricosanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

576
Patents

384.32397 Da
Monoisotopic Mass

9.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.33125 206.0
[M+Na]+ 407.31319 205.1
[M-H]- 383.31669 200.2
[M+NH4]+ 402.35779 204.3
[M+K]+ 423.28713 200.5
[M+H-H2O]+ 367.32123 198.3
[M+HCOO]- 429.32217 213.9
[M+CH3COO]- 443.33782 220.4
[M+Na-2H]- 405.29864 200.6
[M]+ 384.32342 212.9
[M]- 384.32452 212.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe