CID 129733705

Refchem:908035

Structural Information

Molecular Formula
C18H30O3
SMILES
CCCCCC1=C(O1)C/C=C\CCCCCCCC(=O)O
InChI
InChI=1S/C18H30O3/c1-2-3-10-13-16-17(21-16)14-11-8-6-4-5-7-9-12-15-18(19)20/h8,11H,2-7,9-10,12-15H2,1H3,(H,19,20)/b11-8-
InChIKey
CZTASFKQELQPOW-FLIBITNWSA-N
Compound name
(Z)-11-(3-pentyloxiren-2-yl)undec-9-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

30
References

0
Patents

294.21948 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.226756 173.9
[M+Na]+ 317.208698 180.2
[M-H]- 293.212204 176.7
[M+NH4]+ 312.253303 183.3
[M+K]+ 333.182638 175.9
[M+H-H2O]+ 277.216740 166.5
[M+HCOO]- 339.217681 193.3
[M+CH3COO]- 353.233331 206.4
[M+Na-2H]- 315.194146 175.2
[M]+ 294.21893142 183.5
[M]- 294.22002858 183.5
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

No patent data available for this compound.