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 159.1
[M+Na]+ 267.15669 163.5
[M-H]- 243.16019 156.1
[M+NH4]+ 262.20129 175.3
[M+K]+ 283.13063 162.3
[M+H-H2O]+ 227.16473 155.1
[M+HCOO]- 289.16567 173.9
[M+CH3COO]- 303.18132 191.6
[M+Na-2H]- 265.14214 161.1
[M]+ 244.16692 161.4
[M]- 244.16802 161.4
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