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]+ 295.22676 173.9
[M+Na]+ 317.20870 180.2
[M-H]- 293.21220 176.7
[M+NH4]+ 312.25330 183.3
[M+K]+ 333.18264 175.9
[M+H-H2O]+ 277.21674 166.5
[M+HCOO]- 339.21768 193.3
[M+CH3COO]- 353.23333 206.4
[M+Na-2H]- 315.19415 175.2
[M]+ 294.21893 183.5
[M]- 294.22003 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.