CID 207628

2,2,8,8-tetramethylnonanedioic acid

Structural Information

Molecular Formula
C13H24O4
SMILES
CC(C)(CCCCCC(C)(C)C(=O)O)C(=O)O
InChI
InChI=1S/C13H24O4/c1-12(2,10(14)15)8-6-5-7-9-13(3,4)11(16)17/h5-9H2,1-4H3,(H,14,15)(H,16,17)
InChIKey
UEZVTCSABYGOGY-UHFFFAOYSA-N
Compound name
2,2,8,8-tetramethylnonanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

244.16747 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.17475 159.0
[M+Na]+ 267.15669 164.9
[M+NH4]+ 262.20129 163.0
[M+K]+ 283.13063 163.1
[M-H]- 243.16019 154.0
[M+Na-2H]- 265.14214 158.3
[M]+ 244.16692 158.0
[M]- 244.16802 158.0
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