CID 9543660

4-methyl-tridecanedioic acid

Structural Information

Molecular Formula
C14H26O4
SMILES
CC(CCCCCCCCC(=O)O)CCC(=O)O
InChI
InChI=1S/C14H26O4/c1-12(10-11-14(17)18)8-6-4-2-3-5-7-9-13(15)16/h12H,2-11H2,1H3,(H,15,16)(H,17,18)
InChIKey
CBWZQKMGWFWYMF-UHFFFAOYSA-N
Compound name
4-methyltridecanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

258.1831 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.19038 166.6
[M+Na]+ 281.17232 169.4
[M-H]- 257.17582 162.6
[M+NH4]+ 276.21692 181.7
[M+K]+ 297.14626 167.4
[M+H-H2O]+ 241.18036 160.8
[M+HCOO]- 303.18130 183.0
[M+CH3COO]- 317.19695 194.7
[M+Na-2H]- 279.15777 164.6
[M]+ 258.18255 169.4
[M]- 258.18365 169.4
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