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
2
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]+ 275.185276 169.4
[M+Na]+ 297.167218 171.6
[M-H]- 273.170724 164.0
[M+NH4]+ 292.211823 183.1
[M+K]+ 313.141158 169.4
[M+H-H2O]+ 257.175260 163.5
[M+HCOO]- 319.176201 184.6
[M+CH3COO]- 333.191851 194.3
[M+Na-2H]- 295.152666 167.0
[M]+ 274.17745142 171.8
[M]- 274.17854858 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

literature stripe

Patent stripe

patents stripe