CID 128458

2-hydroxydecanedioic acid

Structural Information

Molecular Formula
C10H18O5
SMILES
C(CCCC(C(=O)O)O)CCCC(=O)O
InChI
InChI=1S/C10H18O5/c11-8(10(14)15)6-4-2-1-3-5-7-9(12)13/h8,11H,1-7H2,(H,12,13)(H,14,15)
InChIKey
LPIOYESQKJFWPQ-UHFFFAOYSA-N
Compound name
2-hydroxydecanedioic acid
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

7
References

125
Patents

218.11542 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.12270 151.3
[M+Na]+ 241.10464 155.2
[M-H]- 217.10814 146.6
[M+NH4]+ 236.14924 167.2
[M+K]+ 257.07858 153.9
[M+H-H2O]+ 201.11268 146.1
[M+HCOO]- 263.11362 167.8
[M+CH3COO]- 277.12927 182.4
[M+Na-2H]- 239.09009 150.9
[M]+ 218.11487 152.2
[M]- 218.11597 152.2
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