CID 131751198

6-hydroxypentadecanedioic acid

Structural Information

Molecular Formula
C15H28O5
SMILES
C(CCCCC(=O)O)CCCC(CCCCC(=O)O)O
InChI
InChI=1S/C15H28O5/c16-13(10-7-8-12-15(19)20)9-5-3-1-2-4-6-11-14(17)18/h13,16H,1-12H2,(H,17,18)(H,19,20)
InChIKey
PNEJUHLZEPRMHF-UHFFFAOYSA-N
Compound name
6-hydroxypentadecanedioic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

288.19366 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.200936 173.9
[M+Na]+ 311.182878 175.7
[M-H]- 287.186384 168.3
[M+NH4]+ 306.227483 187.0
[M+K]+ 327.156818 173.2
[M+H-H2O]+ 271.190920 167.8
[M+HCOO]- 333.191861 188.7
[M+CH3COO]- 347.207511 197.3
[M+Na-2H]- 309.168326 170.9
[M]+ 288.19311142 176.7
[M]- 288.19420858 176.7
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

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