CID 53387507

Ieodomycin d

Structural Information

Molecular Formula
C10H16O3
SMILES
C[C@H](CCC/C=C/C=C/C(=O)O)O
InChI
InChI=1S/C10H16O3/c1-9(11)7-5-3-2-4-6-8-10(12)13/h2,4,6,8-9,11H,3,5,7H2,1H3,(H,12,13)/b4-2+,8-6+/t9-/m1/s1
InChIKey
BUNUAXLBBKVLBE-WMCYJUNYSA-N
Compound name
(2E,4E,9R)-9-hydroxydeca-2,4-dienoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

8
Patents

184.10994 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.11722 144.2
[M+Na]+ 207.09916 149.5
[M-H]- 183.10266 141.2
[M+NH4]+ 202.14376 162.6
[M+K]+ 223.07310 146.9
[M+H-H2O]+ 167.10720 139.5
[M+HCOO]- 229.10814 163.0
[M+CH3COO]- 243.12379 177.6
[M+Na-2H]- 205.08461 145.6
[M]+ 184.10939 143.9
[M]- 184.11049 143.9
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