CID 25141159

9,10-dihydroxy-2-decenoic acid

Structural Information

Molecular Formula
C10H18O4
SMILES
C(CC/C=C/C(=O)O)CCC(CO)O
InChI
InChI=1S/C10H18O4/c11-8-9(12)6-4-2-1-3-5-7-10(13)14/h5,7,9,11-12H,1-4,6,8H2,(H,13,14)/b7-5+
InChIKey
LJVFDEUMLMNPKS-FNORWQNLSA-N
Compound name
(E)-9,10-dihydroxydec-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

202.12051 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.12779 148.9
[M+Na]+ 225.10973 153.3
[M-H]- 201.11323 144.3
[M+NH4]+ 220.15433 165.8
[M+K]+ 241.08367 150.9
[M+H-H2O]+ 185.11777 144.0
[M+HCOO]- 247.11871 166.2
[M+CH3COO]- 261.13436 178.7
[M+Na-2H]- 223.09518 149.7
[M]+ 202.11996 148.9
[M]- 202.12106 148.9
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

patents stripe