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

9
Patents

258.1831 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.190376 166.6
[M+Na]+ 281.172318 169.4
[M-H]- 257.175824 162.6
[M+NH4]+ 276.216923 181.7
[M+K]+ 297.146258 167.4
[M+H-H2O]+ 241.180360 160.8
[M+HCOO]- 303.181301 183.0
[M+CH3COO]- 317.196951 194.7
[M+Na-2H]- 279.157766 164.6
[M]+ 258.18255142 169.4
[M]- 258.18364858 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