CID 3716123

10,11-dihydroxyundecanoic acid

Structural Information

Molecular Formula
C11H22O4
SMILES
C(CCCCC(=O)O)CCCC(CO)O
InChI
InChI=1S/C11H22O4/c12-9-10(13)7-5-3-1-2-4-6-8-11(14)15/h10,12-13H,1-9H2,(H,14,15)
InChIKey
GJGWHVLBZGTEAV-UHFFFAOYSA-N
Compound name
10,11-dihydroxyundecanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

604
Patents

218.15181 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.15909 154.8
[M+Na]+ 241.14103 158.3
[M-H]- 217.14453 149.8
[M+NH4]+ 236.18563 170.9
[M+K]+ 257.11497 156.2
[M+H-H2O]+ 201.14907 149.4
[M+HCOO]- 263.15001 171.5
[M+CH3COO]- 277.16566 183.2
[M+Na-2H]- 239.12648 155.0
[M]+ 218.15126 155.9
[M]- 218.15236 155.9
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.