CID 9859090

3,10-dihydroxydecanoic acid

Structural Information

Molecular Formula
C10H20O4
SMILES
C(CCCC(CC(=O)O)O)CCCO
InChI
InChI=1S/C10H20O4/c11-7-5-3-1-2-4-6-9(12)8-10(13)14/h9,11-12H,1-8H2,(H,13,14)
InChIKey
WXCLDXYQUQDNDB-UHFFFAOYSA-N
Compound name
3,10-dihydroxydecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

33
Patents

204.13615 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.14343 150.2
[M+Na]+ 227.12537 154.2
[M-H]- 203.12887 145.5
[M+NH4]+ 222.16997 167.0
[M+K]+ 243.09931 152.4
[M+H-H2O]+ 187.13341 145.1
[M+HCOO]- 249.13435 167.3
[M+CH3COO]- 263.15000 180.2
[M+Na-2H]- 225.11082 151.0
[M]+ 204.13560 151.0
[M]- 204.13670 151.0
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