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]+ 219.159086 154.8
[M+Na]+ 241.141028 158.3
[M-H]- 217.144534 149.8
[M+NH4]+ 236.185633 170.9
[M+K]+ 257.114968 156.2
[M+H-H2O]+ 201.149070 149.4
[M+HCOO]- 263.150011 171.5
[M+CH3COO]- 277.165661 183.2
[M+Na-2H]- 239.126476 155.0
[M]+ 218.15126142 155.9
[M]- 218.15235858 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.