CID 13213508

4-oxododecanedioic acid

Structural Information

Molecular Formula
C12H20O5
SMILES
C(CCCC(=O)CCC(=O)O)CCCC(=O)O
InChI
InChI=1S/C12H20O5/c13-10(8-9-12(16)17)6-4-2-1-3-5-7-11(14)15/h1-9H2,(H,14,15)(H,16,17)
InChIKey
HHXMOTDTSDYYEI-UHFFFAOYSA-N
Compound name
4-oxododecanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

244.13107 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.138346 158.1
[M+Na]+ 267.120288 162.0
[M-H]- 243.123794 154.6
[M+NH4]+ 262.164893 173.7
[M+K]+ 283.094228 160.4
[M+H-H2O]+ 227.128330 152.5
[M+HCOO]- 289.129271 175.7
[M+CH3COO]- 303.144921 190.0
[M+Na-2H]- 265.105736 157.3
[M]+ 244.13052142 161.0
[M]- 244.13161858 161.0
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