CID 20848956

3-hydroxytetradecanedioic acid

Structural Information

Molecular Formula
C14H26O5
SMILES
C(CCCCCC(=O)O)CCCCC(CC(=O)O)O
InChI
InChI=1S/C14H26O5/c15-12(11-14(18)19)9-7-5-3-1-2-4-6-8-10-13(16)17/h12,15H,1-11H2,(H,16,17)(H,18,19)
InChIKey
CEDZIURHISELSQ-UHFFFAOYSA-N
Compound name
3-hydroxytetradecanedioic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

20
Patents

274.178 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.18528 169.4
[M+Na]+ 297.16722 171.6
[M-H]- 273.17072 164.0
[M+NH4]+ 292.21182 183.1
[M+K]+ 313.14116 169.4
[M+H-H2O]+ 257.17526 163.5
[M+HCOO]- 319.17620 184.6
[M+CH3COO]- 333.19185 194.3
[M+Na-2H]- 295.15267 167.0
[M]+ 274.17745 171.8
[M]- 274.17855 171.8
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

No patent data available for this compound.