CID 13185

Tetradecanedioic acid

Structural Information

Molecular Formula
C14H26O4
SMILES
C(CCCCCCC(=O)O)CCCCCC(=O)O
InChI
InChI=1S/C14H26O4/c15-13(16)11-9-7-5-3-1-2-4-6-8-10-12-14(17)18/h1-12H2,(H,15,16)(H,17,18)
InChIKey
HQHCYKULIHKCEB-UHFFFAOYSA-N
Compound name
tetradecanedioic acid
Related CIDs

2D Structure

compound 2d structure
6
Annotation Hits

8
References

43487
Patents

258.1831 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.19038 166.2
[M+Na]+ 281.17232 169.2
[M-H]- 257.17582 162.2
[M+NH4]+ 276.21692 181.4
[M+K]+ 297.14626 166.7
[M+H-H2O]+ 241.18036 160.2
[M+HCOO]- 303.18130 183.6
[M+CH3COO]- 317.19695 193.8
[M+Na-2H]- 279.15777 165.4
[M]+ 258.18255 169.7
[M]- 258.18365 169.7
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