CID 74746

Nonanediperoxoic acid

Structural Information

Molecular Formula
C9H16O6
SMILES
C(CCCC(=O)OO)CCCC(=O)OO
InChI
InChI=1S/C9H16O6/c10-8(14-12)6-4-2-1-3-5-7-9(11)15-13/h12-13H,1-7H2
InChIKey
SXLLDUPXUVRMEE-UHFFFAOYSA-N
Compound name
nonanediperoxoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

6006
Patents

220.09468 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.101956 148.3
[M+Na]+ 243.083898 153.4
[M-H]- 219.087404 145.2
[M+NH4]+ 238.128503 165.1
[M+K]+ 259.057838 153.2
[M+H-H2O]+ 203.091940 142.8
[M+HCOO]- 265.092881 167.9
[M+CH3COO]- 279.108531 181.7
[M+Na-2H]- 241.069346 150.4
[M]+ 220.09413142 152.7
[M]- 220.09522858 152.7
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