CID 6439711

Ehhda

Structural Information

Molecular Formula
C17H30O4
SMILES
CCCCCC1C(O1)C(/C=C/CCCCCCC(=O)O)O
InChI
InChI=1S/C17H30O4/c1-2-3-8-12-15-17(21-15)14(18)11-9-6-4-5-7-10-13-16(19)20/h9,11,14-15,17-18H,2-8,10,12-13H2,1H3,(H,19,20)/b11-9+
InChIKey
AIMIYBFEZJBNFT-PKNBQFBNSA-N
Compound name
(E)-10-hydroxy-10-(3-pentyloxiran-2-yl)dec-8-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

298.21442 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.22170 173.3
[M+Na]+ 321.20364 178.2
[M-H]- 297.20714 174.5
[M+NH4]+ 316.24824 181.6
[M+K]+ 337.17758 174.3
[M+H-H2O]+ 281.21168 166.3
[M+HCOO]- 343.21262 189.4
[M+CH3COO]- 357.22827 204.3
[M+Na-2H]- 319.18909 172.6
[M]+ 298.21387 180.3
[M]- 298.21497 180.3
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