CID 9543656

4-methyl-dodecanedioic acid

Structural Information

Molecular Formula
C13H24O4
SMILES
CC(CCCCCCCC(=O)O)CCC(=O)O
InChI
InChI=1S/C13H24O4/c1-11(9-10-13(16)17)7-5-3-2-4-6-8-12(14)15/h11H,2-10H2,1H3,(H,14,15)(H,16,17)
InChIKey
KKWNWFFSNXXEFH-UHFFFAOYSA-N
Compound name
4-methyldodecanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
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 162.0
[M+Na]+ 267.15669 165.2
[M-H]- 243.16019 158.3
[M+NH4]+ 262.20129 177.7
[M+K]+ 283.13063 163.5
[M+H-H2O]+ 227.16473 156.4
[M+HCOO]- 289.16567 178.8
[M+CH3COO]- 303.18132 191.7
[M+Na-2H]- 265.14214 160.5
[M]+ 244.16692 164.5
[M]- 244.16802 164.5
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