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

literature stripe

Patent stripe

patents stripe